AE08969
105191-13-7 | Ethyl 5-cyanoindole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE08969
ChemicalName
Ethyl 5-cyanoindole-2-carboxylate
CasNumber
105191-13-7
MolecularFormula
C12H10N2O2
MolecularWeight
214.22
MdlNumber
MFCD04966999
Smiles
CCOC(=O)c1cc2c([nH]1)ccc(c2)C#N
Complexity
320
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AE08969
ChemicalName: Ethyl 5-cyanoindole-2-carboxylate
CasNumber: 105191-13-7
MolecularFormula: C12H10N2O2
MolecularWeight: 214.22
MdlNumber: MFCD04966999
Smiles: CCOC(=O)c1cc2c([nH]1)ccc(c2)C#N
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AE08969
ChemicalName:
Ethyl 5-cyanoindole-2-carboxylate
CasNumber:
105191-13-7
MolecularFormula:
C12H10N2O2
MolecularWeight:
214.22
MdlNumber:
MFCD04966999
Smiles:
CCOC(=O)c1cc2c([nH]1)ccc(c2)C#N
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc2c(c1)CCCN2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc2c(c1)CCCN2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE08971
ChemicalName: 2-(2-Methoxyphenyl)piperidine
CasNumber: 118577-00-7
MolecularFormula: C12H17NO
MolecularWeight: 191.2695
MdlNumber: MFCD02663553
Smiles: COc1ccccc1C1CCCCN1
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AE08971
ChemicalName:
2-(2-Methoxyphenyl)piperidine
CasNumber:
118577-00-7
MolecularFormula:
C12H17NO
MolecularWeight:
191.2695
MdlNumber:
MFCD02663553
Smiles:
COc1ccccc1C1CCCCN1
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=C(C=C(C=C1)C2=CSC(=N2)N)F.Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=C(C=C(C=C1)C2=CSC(=N2)N)F.Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__