AA36430
1261964-02-6 | 5-(2-Methylthiophenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36430
ChemicalName
5-(2-Methylthiophenyl)nicotinic acid
CasNumber
1261964-02-6
MolecularFormula
C13H11NO2S
MolecularWeight
245.2969
MdlNumber
MFCD18317425
Smiles
CSc1ccccc1c1cncc(c1)C(=O)O
Complexity
272
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AA36430
ChemicalName: 5-(2-Methylthiophenyl)nicotinic acid
CasNumber: 1261964-02-6
MolecularFormula: C13H11NO2S
MolecularWeight: 245.2969
MdlNumber: MFCD18317425
Smiles: CSc1ccccc1c1cncc(c1)C(=O)O
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AA36430
ChemicalName:
5-(2-Methylthiophenyl)nicotinic acid
CasNumber:
1261964-02-6
MolecularFormula:
C13H11NO2S
MolecularWeight:
245.2969
MdlNumber:
MFCD18317425
Smiles:
CSc1ccccc1c1cncc(c1)C(=O)O
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AA36431
ChemicalName: 3-(3-Fluoro-2-methylphenyl)-5-nitrobenzoic acid
CasNumber: 1261962-57-5
MolecularFormula: C14H10FNO4
MolecularWeight: 275.2319
MdlNumber: MFCD18319618
Smiles: OC(=O)c1cc(cc(c1)c1cccc(c1C)F)[N+](=O)[O-]
Complexity: 384
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA36431
ChemicalName:
3-(3-Fluoro-2-methylphenyl)-5-nitrobenzoic acid
CasNumber:
1261962-57-5
MolecularFormula:
C14H10FNO4
MolecularWeight:
275.2319
MdlNumber:
MFCD18319618
Smiles:
OC(=O)c1cc(cc(c1)c1cccc(c1C)F)[N+](=O)[O-]
Complexity:
384
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1c1ccc(c(c1)Cl)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1c1ccc(c(c1)Cl)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1F)c1ccc(c(c1)F)C
Complexity: 308
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1F)c1ccc(c(c1)F)C
Complexity:
308
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6