AB63815
725-89-3 | 3,5-Bis(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63815
ChemicalName
3,5-Bis(trifluoromethyl)benzoic acid
CasNumber
725-89-3
MolecularFormula
C9H4F6O2
MolecularWeight
258.1173
MdlNumber
MFCD00000388
Smiles
OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
NscNumber
88282
Complexity
273
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.8
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CatalogNumber: AB63815
ChemicalName: 3,5-Bis(trifluoromethyl)benzoic acid
CasNumber: 725-89-3
MolecularFormula: C9H4F6O2
MolecularWeight: 258.1173
MdlNumber: MFCD00000388
Smiles: OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
NscNumber: 88282
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.8
CatalogNumber:
AB63815
ChemicalName:
3,5-Bis(trifluoromethyl)benzoic acid
CasNumber:
725-89-3
MolecularFormula:
C9H4F6O2
MolecularWeight:
258.1173
MdlNumber:
MFCD00000388
Smiles:
OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
NscNumber:
88282
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
NscNumber: __
Complexity: 275
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
NscNumber:
__
Complexity:
275
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.8
CatalogNumber: AB63818
ChemicalName: 3,5-Bis(trifluoromethyl)benzyl alcohol
CasNumber: 32707-89-4
MolecularFormula: C9H6F6O
MolecularWeight: 244.13375919999996
MdlNumber: MFCD00009907
Smiles: OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
NscNumber: __
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AB63818
ChemicalName:
3,5-Bis(trifluoromethyl)benzyl alcohol
CasNumber:
32707-89-4
MolecularFormula:
C9H6F6O
MolecularWeight:
244.13375919999996
MdlNumber:
MFCD00009907
Smiles:
OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
NscNumber:
__
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.8