AA18377
117449-73-7 | 2-Chloro-5-phenylnicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA18377
ChemicalName
2-Chloro-5-phenylnicotinic acid
CasNumber
117449-73-7
MolecularFormula
C12H8ClNO2
MolecularWeight
233.6504
MdlNumber
MFCD14701689
Smiles
OC(=O)c1cc(cnc1Cl)c1ccccc1
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AA18377
ChemicalName: 2-Chloro-5-phenylnicotinic acid
CasNumber: 117449-73-7
MolecularFormula: C12H8ClNO2
MolecularWeight: 233.6504
MdlNumber: MFCD14701689
Smiles: OC(=O)c1cc(cnc1Cl)c1ccccc1
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AA18377
ChemicalName:
2-Chloro-5-phenylnicotinic acid
CasNumber:
117449-73-7
MolecularFormula:
C12H8ClNO2
MolecularWeight:
233.6504
MdlNumber:
MFCD14701689
Smiles:
OC(=O)c1cc(cnc1Cl)c1ccccc1
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)NCc1cccc(c1)C(=O)O
Complexity: 309
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)NCc1cccc(c1)C(=O)O
Complexity:
309
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc2c1C[C@@H](N)CO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc2c1C[C@@H](N)CO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC(=O)OCCOCCC[Si](O[Si](O[Si](CCCOCCOC(=O)C=C)(C)C)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC(=O)OCCOCCC[Si](O[Si](O[Si](CCCOCCOC(=O)C=C)(C)C)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__