AA36439
1261976-89-9 | 5-(3-Carboxyphenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36439
ChemicalName
5-(3-Carboxyphenyl)nicotinic acid
CasNumber
1261976-89-9
MolecularFormula
C13H9NO4
MolecularWeight
243.2149
MdlNumber
MFCD18317323
Smiles
OC(=O)c1cccc(c1)c1cncc(c1)C(=O)O
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AA36439
ChemicalName: 5-(3-Carboxyphenyl)nicotinic acid
CasNumber: 1261976-89-9
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD18317323
Smiles: OC(=O)c1cccc(c1)c1cncc(c1)C(=O)O
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AA36439
ChemicalName:
5-(3-Carboxyphenyl)nicotinic acid
CasNumber:
1261976-89-9
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD18317323
Smiles:
OC(=O)c1cccc(c1)c1cncc(c1)C(=O)O
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 427
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
427
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCNC(=O)c1ccc(cc1F)c1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCNC(=O)c1ccc(cc1F)c1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA36442
ChemicalName: 3-(4-Methylthiophenyl)-5-trifluoromethylbenzoic acid
CasNumber: 1261975-51-2
MolecularFormula: C15H11F3O2S
MolecularWeight: 312.3068
MdlNumber: MFCD18320544
Smiles: CSc1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 364
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.5
CatalogNumber:
AA36442
ChemicalName:
3-(4-Methylthiophenyl)-5-trifluoromethylbenzoic acid
CasNumber:
1261975-51-2
MolecularFormula:
C15H11F3O2S
MolecularWeight:
312.3068
MdlNumber:
MFCD18320544
Smiles:
CSc1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
364
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.5