AC55702
77498-98-7 | 2-Phenyl-1h-imidazole-4-carboxylic acid hydrate
Manufacturer: A2B Chem
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CatalogNumber
AC55702
ChemicalName
2-Phenyl-1h-imidazole-4-carboxylic acid hydrate
CasNumber
77498-98-7
MolecularFormula
C10H8N2O2
MolecularWeight
188.1827
MdlNumber
MFCD04974056
Smiles
OC(=O)c1c[nH]c(n1)c1ccccc1
Complexity
214
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AC55702
ChemicalName: 2-Phenyl-1h-imidazole-4-carboxylic acid hydrate
CasNumber: 77498-98-7
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD04974056
Smiles: OC(=O)c1c[nH]c(n1)c1ccccc1
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AC55702
ChemicalName:
2-Phenyl-1h-imidazole-4-carboxylic acid hydrate
CasNumber:
77498-98-7
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD04974056
Smiles:
OC(=O)c1c[nH]c(n1)c1ccccc1
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(C)nc(n1)N
Complexity: 109
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C)nc(n1)N
Complexity:
109
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(n1)ccc(c2[N+](=O)[O-])Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(n1)ccc(c2[N+](=O)[O-])Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCC2C1CCC2=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCC2C1CCC2=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__