AA03798
1008773-97-4 | 3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA03798
ChemicalName
3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid
CasNumber
1008773-97-4
MolecularFormula
C15H11F3O2
MolecularWeight
280.2418
MdlNumber
MFCD18321753
Smiles
OC(=O)c1ccc(c(c1)C)c1cccc(c1)C(F)(F)F
Complexity
354
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.3
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CatalogNumber: AA03798
ChemicalName: 3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid
CasNumber: 1008773-97-4
MolecularFormula: C15H11F3O2
MolecularWeight: 280.2418
MdlNumber: MFCD18321753
Smiles: OC(=O)c1ccc(c(c1)C)c1cccc(c1)C(F)(F)F
Complexity: 354
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.3
CatalogNumber:
AA03798
ChemicalName:
3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid
CasNumber:
1008773-97-4
MolecularFormula:
C15H11F3O2
MolecularWeight:
280.2418
MdlNumber:
MFCD18321753
Smiles:
OC(=O)c1ccc(c(c1)C)c1cccc(c1)C(F)(F)F
Complexity:
354
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.3
CatalogNumber: AA03799
ChemicalName: 4-(3-Fluorophenyl)-3-methylbenzoic acid
CasNumber: 1008773-96-3
MolecularFormula: C14H11FO2
MolecularWeight: 230.23434319999993
MdlNumber: MFCD14701514
Smiles: Fc1cccc(c1)c1ccc(cc1C)C(=O)O
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AA03799
ChemicalName:
4-(3-Fluorophenyl)-3-methylbenzoic acid
CasNumber:
1008773-96-3
MolecularFormula:
C14H11FO2
MolecularWeight:
230.23434319999993
MdlNumber:
MFCD14701514
Smiles:
Fc1cccc(c1)c1ccc(cc1C)C(=O)O
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(cc1)OCC1CCOCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)OCC1CCOCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA03801
ChemicalName: Cis-3-(tert-butoxycarbonylamino)cyclobutanecarboxylic acid
CasNumber: 1008773-79-2
MolecularFormula: C10H17NO4
MolecularWeight: 215.2463
MdlNumber: MFCD06657680
Smiles: O=C(OC(C)(C)C)N[C@@H]1C[C@@H](C1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AA03801
ChemicalName:
Cis-3-(tert-butoxycarbonylamino)cyclobutanecarboxylic acid
CasNumber:
1008773-79-2
MolecularFormula:
C10H17NO4
MolecularWeight:
215.2463
MdlNumber:
MFCD06657680
Smiles:
O=C(OC(C)(C)C)N[C@@H]1C[C@@H](C1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__