AH13390
66158-46-1 | 2-Oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AH13390
ChemicalName
2-Oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid
CasNumber
66158-46-1
MolecularFormula
C14H10F3NO3
MolecularWeight
297.2293
MdlNumber
MFCD00243696
Smiles
OC(=O)c1cccn(c1=O)Cc1ccc(cc1)C(F)(F)F
Complexity
488
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AH13390
ChemicalName: 2-Oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid
CasNumber: 66158-46-1
MolecularFormula: C14H10F3NO3
MolecularWeight: 297.2293
MdlNumber: MFCD00243696
Smiles: OC(=O)c1cccn(c1=O)Cc1ccc(cc1)C(F)(F)F
Complexity: 488
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AH13390
ChemicalName:
2-Oxo-1-[4-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid
CasNumber:
66158-46-1
MolecularFormula:
C14H10F3NO3
MolecularWeight:
297.2293
MdlNumber:
MFCD00243696
Smiles:
OC(=O)c1cccn(c1=O)Cc1ccc(cc1)C(F)(F)F
Complexity:
488
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1c(C)n(c2c1cccc2)c1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NCCc1c(C)n(c2c1cccc2)c1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCCNC1CCCCC1
Complexity: __
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MolecularFormula:
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Smiles:
N#CCCNC1CCCCC1
Complexity:
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Xlogp3:
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CatalogNumber: AH13393
ChemicalName: Tetrahydro-2H-pyran-2-ol
CasNumber: 694-54-2
MolecularFormula: C5H10O2
MolecularWeight: 102.1317
MdlNumber: MFCD02683093
Smiles: OC1CCCCO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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CatalogNumber:
AH13393
ChemicalName:
Tetrahydro-2H-pyran-2-ol
CasNumber:
694-54-2
MolecularFormula:
C5H10O2
MolecularWeight:
102.1317
MdlNumber:
MFCD02683093
Smiles:
OC1CCCCO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__