AB60368
42580-42-7 | 2,5-Bis(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB60368
ChemicalName
2,5-Bis(trifluoromethyl)benzoic acid
CasNumber
42580-42-7
MolecularFormula
C9H4F6O2
MolecularWeight
258.1172791999999
MdlNumber
MFCD00013249
Smiles
OC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
Complexity
295
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AB60368
ChemicalName: 2,5-Bis(trifluoromethyl)benzoic acid
CasNumber: 42580-42-7
MolecularFormula: C9H4F6O2
MolecularWeight: 258.1172791999999
MdlNumber: MFCD00013249
Smiles: OC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
Complexity: 295
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AB60368
ChemicalName:
2,5-Bis(trifluoromethyl)benzoic acid
CasNumber:
42580-42-7
MolecularFormula:
C9H4F6O2
MolecularWeight:
258.1172791999999
MdlNumber:
MFCD00013249
Smiles:
OC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
Complexity:
295
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB60370
ChemicalName: 2,5-Bis(trifluoromethyl)bromobenzene
CasNumber: 7617-93-8
MolecularFormula: C8H3BrF6
MolecularWeight: 293.0038
MdlNumber: MFCD03094336
Smiles: Brc1cc(ccc1C(F)(F)F)C(F)(F)F
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.4
CatalogNumber:
AB60370
ChemicalName:
2,5-Bis(trifluoromethyl)bromobenzene
CasNumber:
7617-93-8
MolecularFormula:
C8H3BrF6
MolecularWeight:
293.0038
MdlNumber:
MFCD03094336
Smiles:
Brc1cc(ccc1C(F)(F)F)C(F)(F)F
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.4
CatalogNumber: AB60371
ChemicalName: 2,5-Bis(trifluoromethyl)nitrobenzene
CasNumber: 320-88-7
MolecularFormula: C8H3F6NO2
MolecularWeight: 259.1053
MdlNumber: MFCD00236674
Smiles: [O-][N+](=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
AB60371
ChemicalName:
2,5-Bis(trifluoromethyl)nitrobenzene
CasNumber:
320-88-7
MolecularFormula:
C8H3F6NO2
MolecularWeight:
259.1053
MdlNumber:
MFCD00236674
Smiles:
[O-][N+](=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5