AB51308
191595-63-8 | 2-Oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB51308
ChemicalName
2-Oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid
CasNumber
191595-63-8
MolecularFormula
C7H4F3NO3
MolecularWeight
207.1068
MdlNumber
MFCD01862657
Smiles
OC(=O)c1ccc(nc1O)C(F)(F)F
Complexity
354
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AB51308
ChemicalName: 2-Oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid
CasNumber: 191595-63-8
MolecularFormula: C7H4F3NO3
MolecularWeight: 207.1068
MdlNumber: MFCD01862657
Smiles: OC(=O)c1ccc(nc1O)C(F)(F)F
Complexity: 354
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AB51308
ChemicalName:
2-Oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acid
CasNumber:
191595-63-8
MolecularFormula:
C7H4F3NO3
MolecularWeight:
207.1068
MdlNumber:
MFCD01862657
Smiles:
OC(=O)c1ccc(nc1O)C(F)(F)F
Complexity:
354
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1CCC(NC1=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1CCC(NC1=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCOC(=O)CS(=O)(=O)O.[Na]
Complexity: 338
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCOC(=O)CS(=O)(=O)O.[Na]
Complexity:
338
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccccc1CC(=O)O
Complexity: 216
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccccc1CC(=O)O
Complexity:
216
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1