AI54166
635325-17-6 | 2-(3-(Trifluoromethyl)phenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AI54166
ChemicalName
2-(3-(Trifluoromethyl)phenyl)nicotinic acid
CasNumber
635325-17-6
MolecularFormula
C13H8F3NO2
MolecularWeight
267.2033
MdlNumber
MFCD16337524
Smiles
OC(=O)c1cccnc1c1cccc(c1)C(F)(F)F
Complexity
332
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AI54166
ChemicalName: 2-(3-(Trifluoromethyl)phenyl)nicotinic acid
CasNumber: 635325-17-6
MolecularFormula: C13H8F3NO2
MolecularWeight: 267.2033
MdlNumber: MFCD16337524
Smiles: OC(=O)c1cccnc1c1cccc(c1)C(F)(F)F
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AI54166
ChemicalName:
2-(3-(Trifluoromethyl)phenyl)nicotinic acid
CasNumber:
635325-17-6
MolecularFormula:
C13H8F3NO2
MolecularWeight:
267.2033
MdlNumber:
MFCD16337524
Smiles:
OC(=O)c1cccnc1c1cccc(c1)C(F)(F)F
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OCCCc1cc(O)c(c(c1)OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
OCCCc1cc(O)c(c(c1)OC)OC
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: OC(=O)c1cc2c(o1)c(Cl)ccc2
Complexity: __
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CasNumber:
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MolecularFormula:
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Smiles:
OC(=O)c1cc2c(o1)c(Cl)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: NCC1(CCCCC1)CC(=O)OC.Cl
Complexity: __
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HydrogenBondAcceptorCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
NCC1(CCCCC1)CC(=O)OC.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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