AC06641
877607-26-6 | 4-[3-(Trifluoromethyl)phenyl]phenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AC06641
ChemicalName
4-[3-(Trifluoromethyl)phenyl]phenylacetic acid
CasNumber
877607-26-6
MolecularFormula
C15H11F3O2
MolecularWeight
280.2418
MdlNumber
MFCD05980246
Smiles
OC(=O)Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity
333
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.2
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CatalogNumber: AC06641
ChemicalName: 4-[3-(Trifluoromethyl)phenyl]phenylacetic acid
CasNumber: 877607-26-6
MolecularFormula: C15H11F3O2
MolecularWeight: 280.2418
MdlNumber: MFCD05980246
Smiles: OC(=O)Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity: 333
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.2
CatalogNumber:
AC06641
ChemicalName:
4-[3-(Trifluoromethyl)phenyl]phenylacetic acid
CasNumber:
877607-26-6
MolecularFormula:
C15H11F3O2
MolecularWeight:
280.2418
MdlNumber:
MFCD05980246
Smiles:
OC(=O)Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Complexity:
333
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.2
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Smiles: O=C1Nc2ccccc2[C@@H](N1C1CCN(CC1)Cc1cccc(c1)OC(F)(F)F)c1ccccc1
Complexity: __
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RotatableBondCount: __
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Smiles:
O=C1Nc2ccccc2[C@@H](N1C1CCN(CC1)Cc1cccc(c1)OC(F)(F)F)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
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Smiles: CCOc1cc(ccc1O)/C=C(/c1ccccc1)C(=O)[O-]
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Smiles:
CCOc1cc(ccc1O)/C=C(/c1ccccc1)C(=O)[O-]
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C1NC(=S)N(C1)C.CSCCC(C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=S)N(C1)C.CSCCC(C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__