AE62672
1261783-07-6 | 3-(4-Trifluoromethoxyphenyl)Isonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62672
ChemicalName
3-(4-Trifluoromethoxyphenyl)Isonicotinic acid
CasNumber
1261783-07-6
MolecularFormula
C13H8F3NO3
MolecularWeight
283.2027
MdlNumber
MFCD18318370
Smiles
OC(=O)c1ccncc1c1ccc(cc1)OC(F)(F)F
Complexity
340
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AE62672
ChemicalName: 3-(4-Trifluoromethoxyphenyl)Isonicotinic acid
CasNumber: 1261783-07-6
MolecularFormula: C13H8F3NO3
MolecularWeight: 283.2027
MdlNumber: MFCD18318370
Smiles: OC(=O)c1ccncc1c1ccc(cc1)OC(F)(F)F
Complexity: 340
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AE62672
ChemicalName:
3-(4-Trifluoromethoxyphenyl)Isonicotinic acid
CasNumber:
1261783-07-6
MolecularFormula:
C13H8F3NO3
MolecularWeight:
283.2027
MdlNumber:
MFCD18318370
Smiles:
OC(=O)c1ccncc1c1ccc(cc1)OC(F)(F)F
Complexity:
340
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1cccc(c1)c1ccc(cc1)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cccc(c1)c1ccc(cc1)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(/C=C/C(=O)c1ccc(cc1)F)C
Complexity: 217
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(/C=C/C(=O)c1ccc(cc1)F)C
Complexity:
217
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1cccc(c1)OCC1CCCO1
Complexity: 244
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1cccc(c1)OCC1CCCO1
Complexity:
244
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2