AA36414
1261969-21-4 | 5-Methoxy-3-(thiophen-3-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36414
ChemicalName
5-Methoxy-3-(thiophen-3-yl)benzoic acid
CasNumber
1261969-21-4
MolecularFormula
C12H10O3S
MolecularWeight
234.271
MdlNumber
MFCD18318893
Smiles
COc1cc(cc(c1)C(=O)O)c1ccsc1
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AA36414
ChemicalName: 5-Methoxy-3-(thiophen-3-yl)benzoic acid
CasNumber: 1261969-21-4
MolecularFormula: C12H10O3S
MolecularWeight: 234.271
MdlNumber: MFCD18318893
Smiles: COc1cc(cc(c1)C(=O)O)c1ccsc1
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA36414
ChemicalName:
5-Methoxy-3-(thiophen-3-yl)benzoic acid
CasNumber:
1261969-21-4
MolecularFormula:
C12H10O3S
MolecularWeight:
234.271
MdlNumber:
MFCD18318893
Smiles:
COc1cc(cc(c1)C(=O)O)c1ccsc1
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: AA36415
ChemicalName: 5-Methoxy-3-[4-(piperidinocarbonyl)phenyl]benzoic acid
CasNumber: 1261969-11-2
MolecularFormula: C20H21NO4
MolecularWeight: 339.385
MdlNumber: MFCD18323032
Smiles: COc1cc(cc(c1)C(=O)O)c1ccc(cc1)C(=O)N1CCCCC1
Complexity: 466
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AA36415
ChemicalName:
5-Methoxy-3-[4-(piperidinocarbonyl)phenyl]benzoic acid
CasNumber:
1261969-11-2
MolecularFormula:
C20H21NO4
MolecularWeight:
339.385
MdlNumber:
MFCD18323032
Smiles:
COc1cc(cc(c1)C(=O)O)c1ccc(cc1)C(=O)N1CCCCC1
Complexity:
466
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: AA36416
ChemicalName: 2-Fluoro-4-(3-nitrophenyl)benzoic acid
CasNumber: 1261968-85-7
MolecularFormula: C13H8FNO4
MolecularWeight: 261.2053
MdlNumber: MFCD16383885
Smiles: [O-][N+](=O)c1cccc(c1)c1ccc(c(c1)F)C(=O)O
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AA36416
ChemicalName:
2-Fluoro-4-(3-nitrophenyl)benzoic acid
CasNumber:
1261968-85-7
MolecularFormula:
C13H8FNO4
MolecularWeight:
261.2053
MdlNumber:
MFCD16383885
Smiles:
[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)F)C(=O)O
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AA36417
ChemicalName: 3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid
CasNumber: 1261967-52-5
MolecularFormula: C14H10ClNO4
MolecularWeight: 291.6865
MdlNumber: MFCD18320737
Smiles: Cc1ccc(c(c1)Cl)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity: 384
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.9
CatalogNumber:
AA36417
ChemicalName:
3-(2-Chloro-4-methylphenyl)-5-nitrobenzoic acid
CasNumber:
1261967-52-5
MolecularFormula:
C14H10ClNO4
MolecularWeight:
291.6865
MdlNumber:
MFCD18320737
Smiles:
Cc1ccc(c(c1)Cl)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Complexity:
384
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.9