AC91556
893740-46-0 | 5-(3-Trifluoromethylphenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AC91556
ChemicalName
5-(3-Trifluoromethylphenyl)nicotinic acid
CasNumber
893740-46-0
MolecularFormula
C13H8F3NO2
MolecularWeight
267.2033
MdlNumber
MFCD06410275
Smiles
OC(=O)c1cncc(c1)c1cccc(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: AC91556
ChemicalName: 5-(3-Trifluoromethylphenyl)nicotinic acid
CasNumber: 893740-46-0
MolecularFormula: C13H8F3NO2
MolecularWeight: 267.2033
MdlNumber: MFCD06410275
Smiles: OC(=O)c1cncc(c1)c1cccc(c1)C(F)(F)F
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AC91556
ChemicalName:
5-(3-Trifluoromethylphenyl)nicotinic acid
CasNumber:
893740-46-0
MolecularFormula:
C13H8F3NO2
MolecularWeight:
267.2033
MdlNumber:
MFCD06410275
Smiles:
OC(=O)c1cncc(c1)c1cccc(c1)C(F)(F)F
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AC91557
ChemicalName: 5-(4-Benzyloxyphenyl)nicotinic acid
CasNumber: 893739-18-9
MolecularFormula: C19H15NO3
MolecularWeight: 305.3273
MdlNumber: MFCD06802460
Smiles: OC(=O)c1cncc(c1)c1ccc(cc1)OCc1ccccc1
Complexity: 373
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.5
CatalogNumber:
AC91557
ChemicalName:
5-(4-Benzyloxyphenyl)nicotinic acid
CasNumber:
893739-18-9
MolecularFormula:
C19H15NO3
MolecularWeight:
305.3273
MdlNumber:
MFCD06802460
Smiles:
OC(=O)c1cncc(c1)c1ccc(cc1)OCc1ccccc1
Complexity:
373
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cccc(c1)c1ccccc1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1cccc(c1)c1ccccc1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AC91562
ChemicalName: 2-Amino-5-(4-methylthiophenyl)pyridine
CasNumber: 893738-44-8
MolecularFormula: C10H10N2S
MolecularWeight: 190.2648
MdlNumber: MFCD06802148
Smiles: Cc1csc(c1)c1ccc(nc1)N
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AC91562
ChemicalName:
2-Amino-5-(4-methylthiophenyl)pyridine
CasNumber:
893738-44-8
MolecularFormula:
C10H10N2S
MolecularWeight:
190.2648
MdlNumber:
MFCD06802148
Smiles:
Cc1csc(c1)c1ccc(nc1)N
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6