AB93291
883528-31-2 | 2-(2-methylphenyl)isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB93291
ChemicalName
2-(2-methylphenyl)isonicotinic acid
CasNumber
883528-31-2
MolecularFormula
C13H11NO2
MolecularWeight
213.2319
MdlNumber
MFCD14666478
Smiles
Cc1ccccc1c1nccc(c1)C(=O)O
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AB93291
ChemicalName: 2-(2-methylphenyl)isonicotinic acid
CasNumber: 883528-31-2
MolecularFormula: C13H11NO2
MolecularWeight: 213.2319
MdlNumber: MFCD14666478
Smiles: Cc1ccccc1c1nccc(c1)C(=O)O
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB93291
ChemicalName:
2-(2-methylphenyl)isonicotinic acid
CasNumber:
883528-31-2
MolecularFormula:
C13H11NO2
MolecularWeight:
213.2319
MdlNumber:
MFCD14666478
Smiles:
Cc1ccccc1c1nccc(c1)C(=O)O
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc(F)cc(c1S(=O)(=O)Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc(F)cc(c1S(=O)(=O)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccccc1C(=O)N
Complexity: 203
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccccc1C(=O)N
Complexity:
203
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.1