AB65688
108035-45-6 | 4-(1H-Imidazol-2-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65688
ChemicalName
4-(1H-Imidazol-2-yl)benzoic acid
CasNumber
108035-45-6
MolecularFormula
C10H8N2O2
MolecularWeight
188.1827
MdlNumber
MFCD00456057
Smiles
OC(=O)c1ccc(cc1)c1ncc[nH]1
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB65688
ChemicalName: 4-(1H-Imidazol-2-yl)benzoic acid
CasNumber: 108035-45-6
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD00456057
Smiles: OC(=O)c1ccc(cc1)c1ncc[nH]1
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB65688
ChemicalName:
4-(1H-Imidazol-2-yl)benzoic acid
CasNumber:
108035-45-6
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD00456057
Smiles:
OC(=O)c1ccc(cc1)c1ncc[nH]1
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ICC(=O)NC1CC(C)(C)N(C(C1)(C)C)[O]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ICC(=O)NC1CC(C)(C)N(C(C1)(C)C)[O]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65691
ChemicalName: (4-Methoxycarbonylmethyl)phenylboronic acid
CasNumber: 454185-96-7
MolecularFormula: C9H11BO4
MolecularWeight: 193.9922
MdlNumber: MFCD09997796
Smiles: COC(=O)Cc1ccc(cc1)B(O)O
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB65691
ChemicalName:
(4-Methoxycarbonylmethyl)phenylboronic acid
CasNumber:
454185-96-7
MolecularFormula:
C9H11BO4
MolecularWeight:
193.9922
MdlNumber:
MFCD09997796
Smiles:
COC(=O)Cc1ccc(cc1)B(O)O
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(C)ccc1OC1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(C)ccc1OC1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__