AD29680
13569-97-6 | 4-(1H-Imidazol-4-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD29680
ChemicalName
4-(1H-Imidazol-4-yl)benzoic acid
CasNumber
13569-97-6
MolecularFormula
C10H8N2O2
MolecularWeight
188.1827
MdlNumber
MFCD08056298
Smiles
OC(=O)c1ccc(cc1)c1c[nH]cn1
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AD29680
ChemicalName: 4-(1H-Imidazol-4-yl)benzoic acid
CasNumber: 13569-97-6
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD08056298
Smiles: OC(=O)c1ccc(cc1)c1c[nH]cn1
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AD29680
ChemicalName:
4-(1H-Imidazol-4-yl)benzoic acid
CasNumber:
13569-97-6
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD08056298
Smiles:
OC(=O)c1ccc(cc1)c1c[nH]cn1
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)C1CCCCC1
Complexity: 1100
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(C)C)OCC(=O)C12OC(OC1CC1C2(C)CC(O)C2C1CCC1=CC(=O)C=CC21C)C1CCCCC1
Complexity:
1100
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCC=C(O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC=C(O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD29695
ChemicalName: 5-Bromo-6-chloro-3-nitropyridin-2-amine
CasNumber: 1335057-22-1
MolecularFormula: C5H3BrClN3O2
MolecularWeight: 252.4532
MdlNumber: MFCD20230539
Smiles: [O-][N+](=O)c1cc(Br)c(nc1N)Cl
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
AD29695
ChemicalName:
5-Bromo-6-chloro-3-nitropyridin-2-amine
CasNumber:
1335057-22-1
MolecularFormula:
C5H3BrClN3O2
MolecularWeight:
252.4532
MdlNumber:
MFCD20230539
Smiles:
[O-][N+](=O)c1cc(Br)c(nc1N)Cl
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.5