AA36442
1261975-51-2 | 3-(4-Methylthiophenyl)-5-trifluoromethylbenzoic acid
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AA36443
ChemicalName: 2-(4-Carboxy-3-fluorophenyl)phenol
CasNumber: 1261975-31-8
MolecularFormula: C13H9FO3
MolecularWeight: 232.2072
MdlNumber: MFCD18312929
Smiles: Oc1ccccc1c1ccc(c(c1)F)C(=O)O
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AA36443
ChemicalName:
2-(4-Carboxy-3-fluorophenyl)phenol
CasNumber:
1261975-31-8
MolecularFormula:
C13H9FO3
MolecularWeight:
232.2072
MdlNumber:
MFCD18312929
Smiles:
Oc1ccccc1c1ccc(c(c1)F)C(=O)O
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AA36444
ChemicalName: 3-Fluoro-4-(2-methylthiophenyl)benzoic acid
CasNumber: 1261974-64-4
MolecularFormula: C14H11FO2S
MolecularWeight: 262.2993
MdlNumber: MFCD22123690
Smiles: CSc1ccccc1c1ccc(cc1F)C(=O)O
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA36444
ChemicalName:
3-Fluoro-4-(2-methylthiophenyl)benzoic acid
CasNumber:
1261974-64-4
MolecularFormula:
C14H11FO2S
MolecularWeight:
262.2993
MdlNumber:
MFCD22123690
Smiles:
CSc1ccccc1c1ccc(cc1F)C(=O)O
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: AA36445
ChemicalName: 5-(3-BOC-Aminophenyl)-2-hydroxypyridine
CasNumber: 1261974-19-9
MolecularFormula: C16H18N2O3
MolecularWeight: 286.3257
MdlNumber: MFCD18312548
Smiles: O=C(OC(C)(C)C)Nc1cccc(c1)c1ccc(=O)[nH]c1
Complexity: 474
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AA36445
ChemicalName:
5-(3-BOC-Aminophenyl)-2-hydroxypyridine
CasNumber:
1261974-19-9
MolecularFormula:
C16H18N2O3
MolecularWeight:
286.3257
MdlNumber:
MFCD18312548
Smiles:
O=C(OC(C)(C)C)Nc1cccc(c1)c1ccc(=O)[nH]c1
Complexity:
474
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
1.9