AA97130
181765-85-5 | Methyl 4-chloro-2-iodobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA97130
ChemicalName
Methyl 4-chloro-2-iodobenzoate
CasNumber
181765-85-5
MolecularFormula
C8H6ClIO2
MolecularWeight
296.4895
MdlNumber
MFCD12024993
Smiles
COC(=O)c1ccc(cc1I)Cl
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AA97130
ChemicalName: Methyl 4-chloro-2-iodobenzoate
CasNumber: 181765-85-5
MolecularFormula: C8H6ClIO2
MolecularWeight: 296.4895
MdlNumber: MFCD12024993
Smiles: COC(=O)c1ccc(cc1I)Cl
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA97130
ChemicalName:
Methyl 4-chloro-2-iodobenzoate
CasNumber:
181765-85-5
MolecularFormula:
C8H6ClIO2
MolecularWeight:
296.4895
MdlNumber:
MFCD12024993
Smiles:
COC(=O)c1ccc(cc1I)Cl
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cc(nn1c1ccccc1)C.[Na]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)S(=O)(=O)Nc1cc(nn1c1ccccc1)C.[Na]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA97135
ChemicalName: Methyl 4-iodosalicylate
CasNumber: 18179-39-0
MolecularFormula: C8H7IO3
MolecularWeight: 278.0439
MdlNumber: MFCD06797864
Smiles: COC(=O)c1ccc(cc1O)I
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AA97135
ChemicalName:
Methyl 4-iodosalicylate
CasNumber:
18179-39-0
MolecularFormula:
C8H7IO3
MolecularWeight:
278.0439
MdlNumber:
MFCD06797864
Smiles:
COC(=O)c1ccc(cc1O)I
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].N.N.N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].N.N.N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__