AD09966
6633-36-9 | 3,5-Diamino-4-methylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD09966
ChemicalName
3,5-Diamino-4-methylbenzoic acid
CasNumber
6633-36-9
MolecularFormula
C8H10N2O2
MolecularWeight
166.1772
MdlNumber
MFCD00025283
Smiles
OC(=O)c1cc(N)c(c(c1)N)C
NscNumber
56684
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AD09966
ChemicalName: 3,5-Diamino-4-methylbenzoic acid
CasNumber: 6633-36-9
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD00025283
Smiles: OC(=O)c1cc(N)c(c(c1)N)C
NscNumber: 56684
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AD09966
ChemicalName:
3,5-Diamino-4-methylbenzoic acid
CasNumber:
6633-36-9
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD00025283
Smiles:
OC(=O)c1cc(N)c(c(c1)N)C
NscNumber:
56684
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: [O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])C(=O)Cl
NscNumber: __
Complexity: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-][N+](=O)c1cc(cc(c1C)[N+](=O)[O-])C(=O)Cl
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCc1cc(Cl)nc(n1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCCc1cc(Cl)nc(n1)C
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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