AA36461
1261970-06-2 | 3-(4-Carboxy-3-fluorophenyl)-5-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36461
ChemicalName
3-(4-Carboxy-3-fluorophenyl)-5-methoxybenzoic acid
CasNumber
1261970-06-2
MolecularFormula
C15H11FO5
MolecularWeight
290.2432
MdlNumber
MFCD18321507
Smiles
COc1cc(cc(c1)c1ccc(c(c1)F)C(=O)O)C(=O)O
Complexity
400
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.7
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CatalogNumber: AA36461
ChemicalName: 3-(4-Carboxy-3-fluorophenyl)-5-methoxybenzoic acid
CasNumber: 1261970-06-2
MolecularFormula: C15H11FO5
MolecularWeight: 290.2432
MdlNumber: MFCD18321507
Smiles: COc1cc(cc(c1)c1ccc(c(c1)F)C(=O)O)C(=O)O
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AA36461
ChemicalName:
3-(4-Carboxy-3-fluorophenyl)-5-methoxybenzoic acid
CasNumber:
1261970-06-2
MolecularFormula:
C15H11FO5
MolecularWeight:
290.2432
MdlNumber:
MFCD18321507
Smiles:
COc1cc(cc(c1)c1ccc(c(c1)F)C(=O)O)C(=O)O
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.7
CatalogNumber: AA36462
ChemicalName: 3-Fluoro-4-(4-formylphenyl)benzoic acid
CasNumber: 1261969-57-6
MolecularFormula: C14H9FO3
MolecularWeight: 244.2179
MdlNumber: MFCD18319243
Smiles: O=Cc1ccc(cc1)c1ccc(cc1F)C(=O)O
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AA36462
ChemicalName:
3-Fluoro-4-(4-formylphenyl)benzoic acid
CasNumber:
1261969-57-6
MolecularFormula:
C14H9FO3
MolecularWeight:
244.2179
MdlNumber:
MFCD18319243
Smiles:
O=Cc1ccc(cc1)c1ccc(cc1F)C(=O)O
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.6
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Smiles: N#Cc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
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N#Cc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
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Smiles: CCOc1cc(Br)ccc1C(=O)NC(C)(C)C
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Smiles:
CCOc1cc(Br)ccc1C(=O)NC(C)(C)C
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