AB50395
195457-71-7 | 4-(4-Trifluoromethylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50395
ChemicalName
4-(4-Trifluoromethylphenyl)benzoic acid
CasNumber
195457-71-7
MolecularFormula
C14H9F3O2
MolecularWeight
266.2153
MdlNumber
MFCD03424606
Smiles
OC(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
4.7
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CatalogNumber: AB50395
ChemicalName: 4-(4-Trifluoromethylphenyl)benzoic acid
CasNumber: 195457-71-7
MolecularFormula: C14H9F3O2
MolecularWeight: 266.2153
MdlNumber: MFCD03424606
Smiles: OC(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.7
CatalogNumber:
AB50395
ChemicalName:
4-(4-Trifluoromethylphenyl)benzoic acid
CasNumber:
195457-71-7
MolecularFormula:
C14H9F3O2
MolecularWeight:
266.2153
MdlNumber:
MFCD03424606
Smiles:
OC(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1C[C@@H](CC[C@H]1N)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC[C@H]1C[C@@H](CC[C@H]1N)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: NCCCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
NCCCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularWeight: __
MdlNumber: __
Smiles: ClCC1=C(C(=O)OCc2ccc(cc2)OC)N2[C@H](SC1)[C@@H](C2=O)N.Cl
Complexity: 548
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC1=C(C(=O)OCc2ccc(cc2)OC)N2[C@H](SC1)[C@@H](C2=O)N.Cl
Complexity:
548
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__