AA40418
131020-57-0 | 4,5,6,7-Tetrahydro-1h-benzoimidazole-5-carboxylic acid, HCl
Manufacturer: A2B Chem
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CatalogNumber
AA40418
ChemicalName
4,5,6,7-Tetrahydro-1h-benzoimidazole-5-carboxylic acid, HCl
CasNumber
131020-57-0
MolecularFormula
C8H11ClN2O2
MolecularWeight
202.63814000000005
MdlNumber
MFCD18157694
Smiles
OC(=O)C1CCc2c(C1)nc[nH]2.Cl
Complexity
196
Covalently-bondedUnitCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA40418
ChemicalName: 4,5,6,7-Tetrahydro-1h-benzoimidazole-5-carboxylic acid, HCl
CasNumber: 131020-57-0
MolecularFormula: C8H11ClN2O2
MolecularWeight: 202.63814000000005
MdlNumber: MFCD18157694
Smiles: OC(=O)C1CCc2c(C1)nc[nH]2.Cl
Complexity: 196
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA40418
ChemicalName:
4,5,6,7-Tetrahydro-1h-benzoimidazole-5-carboxylic acid, HCl
CasNumber:
131020-57-0
MolecularFormula:
C8H11ClN2O2
MolecularWeight:
202.63814000000005
MdlNumber:
MFCD18157694
Smiles:
OC(=O)C1CCc2c(C1)nc[nH]2.Cl
Complexity:
196
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc2c(c1)n(C)cn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(c1)n(C)cn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.OC(=O)C1CCc2c(C1)[nH]cn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.OC(=O)C1CCc2c(C1)[nH]cn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: AA40424
ChemicalName: Methyl 1-methylbenzimidazole-5-carboxylate
CasNumber: 131020-36-5
MolecularFormula: C10H10N2O2
MolecularWeight: 190.1986
MdlNumber: MFCD04492113
Smiles: COC(=O)c1ccc2c(c1)ncn2C
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AA40424
ChemicalName:
Methyl 1-methylbenzimidazole-5-carboxylate
CasNumber:
131020-36-5
MolecularFormula:
C10H10N2O2
MolecularWeight:
190.1986
MdlNumber:
MFCD04492113
Smiles:
COC(=O)c1ccc2c(c1)ncn2C
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__