AG27965
53484-18-7 | 1-Methyl-1h-benzimidazole-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG27965
ChemicalName
1-Methyl-1h-benzimidazole-6-carboxylic acid
CasNumber
53484-18-7
MolecularFormula
C9H8N2O2
MolecularWeight
176.172
MdlNumber
MFCD11043014
Smiles
Cn1cnc2c1cc(cc2)C(=O)O
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AG27965
ChemicalName: 1-Methyl-1h-benzimidazole-6-carboxylic acid
CasNumber: 53484-18-7
MolecularFormula: C9H8N2O2
MolecularWeight: 176.172
MdlNumber: MFCD11043014
Smiles: Cn1cnc2c1cc(cc2)C(=O)O
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AG27965
ChemicalName:
1-Methyl-1h-benzimidazole-6-carboxylic acid
CasNumber:
53484-18-7
MolecularFormula:
C9H8N2O2
MolecularWeight:
176.172
MdlNumber:
MFCD11043014
Smiles:
Cn1cnc2c1cc(cc2)C(=O)O
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC([C@H](N1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl)C1=[O][Rh+2]234[Rh+2]([O-]1)([O-]C(=[O]4)[C@H](C(C)(C)C)N1C(=O)c4c(C1=O)c(Cl)c(c(c4Cl)Cl)Cl)([O]=C([O-]3)[C@H](C(C)(C)C)N1C(=O)c3c(C1=O)c(Cl)c(c(c3Cl)Cl)Cl)[O]=C([O-]2)[C@H](C(C)(C)C)N1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CC([C@H](N1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl)C1=[O][Rh+2]234[Rh+2]([O-]1)([O-]C(=[O]4)[C@H](C(C)(C)C)N1C(=O)c4c(C1=O)c(Cl)c(c(c4Cl)Cl)Cl)([O]=C([O-]3)[C@H](C(C)(C)C)N1C(=O)c3c(C1=O)c(Cl)c(c(c3Cl)Cl)Cl)[O]=C([O-]2)[C@H](C(C)(C)C)N1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[NH2+]C.[I-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[NH2+]C.[I-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1c2ccccc2c2c1c1c(c3c2c(=O)c2c3cccc2)c(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1c2ccccc2c2c1c1c(c3c2c(=O)c2c3cccc2)c(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__