AA36294
1261922-99-9 | 4-(3-Chloro-4-fluorophenyl)-3-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36294
ChemicalName
4-(3-Chloro-4-fluorophenyl)-3-fluorobenzoic acid
CasNumber
1261922-99-9
MolecularFormula
C13H7ClF2O2
MolecularWeight
268.6433
MdlNumber
MFCD18321030
Smiles
OC(=O)c1ccc(c(c1)F)c1ccc(c(c1)Cl)F
Complexity
313
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.9
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CatalogNumber: AA36294
ChemicalName: 4-(3-Chloro-4-fluorophenyl)-3-fluorobenzoic acid
CasNumber: 1261922-99-9
MolecularFormula: C13H7ClF2O2
MolecularWeight: 268.6433
MdlNumber: MFCD18321030
Smiles: OC(=O)c1ccc(c(c1)F)c1ccc(c(c1)Cl)F
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.9
CatalogNumber:
AA36294
ChemicalName:
4-(3-Chloro-4-fluorophenyl)-3-fluorobenzoic acid
CasNumber:
1261922-99-9
MolecularFormula:
C13H7ClF2O2
MolecularWeight:
268.6433
MdlNumber:
MFCD18321030
Smiles:
OC(=O)c1ccc(c(c1)F)c1ccc(c(c1)Cl)F
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(cc(c1)C(=O)O)c1cc(F)cc(c1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(cc(c1)C(=O)O)c1cc(F)cc(c1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA36296
ChemicalName: 3-(2,5-Dimethylphenyl)-2-methylbenzoic acid
CasNumber: 1261922-05-7
MolecularFormula: C16H16O2
MolecularWeight: 240.297
MdlNumber: MFCD18319288
Smiles: Cc1ccc(c(c1)c1cccc(c1C)C(=O)O)C
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.2
CatalogNumber:
AA36296
ChemicalName:
3-(2,5-Dimethylphenyl)-2-methylbenzoic acid
CasNumber:
1261922-05-7
MolecularFormula:
C16H16O2
MolecularWeight:
240.297
MdlNumber:
MFCD18319288
Smiles:
Cc1ccc(c(c1)c1cccc(c1C)C(=O)O)C
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.2
CatalogNumber: AA36297
ChemicalName: 4-(3-Fluoro-5-methoxycarbonylphenyl)phenol
CasNumber: 1261921-87-2
MolecularFormula: C14H11FO3
MolecularWeight: 246.2337
MdlNumber: MFCD18312975
Smiles: COC(=O)c1cc(F)cc(c1)c1ccc(cc1)O
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AA36297
ChemicalName:
4-(3-Fluoro-5-methoxycarbonylphenyl)phenol
CasNumber:
1261921-87-2
MolecularFormula:
C14H11FO3
MolecularWeight:
246.2337
MdlNumber:
MFCD18312975
Smiles:
COC(=O)c1cc(F)cc(c1)c1ccc(cc1)O
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1