AB67477
886496-49-7 | 4-Fluoro-3-(trifluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB67477
ChemicalName
4-Fluoro-3-(trifluoromethoxy)benzoic acid
CasNumber
886496-49-7
MolecularFormula
C8H4F4O3
MolecularWeight
224.1092
MdlNumber
MFCD06660161
Smiles
Fc1ccc(cc1OC(F)(F)F)C(=O)O
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AB67477
ChemicalName: 4-Fluoro-3-(trifluoromethoxy)benzoic acid
CasNumber: 886496-49-7
MolecularFormula: C8H4F4O3
MolecularWeight: 224.1092
MdlNumber: MFCD06660161
Smiles: Fc1ccc(cc1OC(F)(F)F)C(=O)O
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AB67477
ChemicalName:
4-Fluoro-3-(trifluoromethoxy)benzoic acid
CasNumber:
886496-49-7
MolecularFormula:
C8H4F4O3
MolecularWeight:
224.1092
MdlNumber:
MFCD06660161
Smiles:
Fc1ccc(cc1OC(F)(F)F)C(=O)O
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(Oc1cc(O)ccc1F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(Oc1cc(O)ccc1F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1ccc(c(c1)C(F)(F)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1ccc(c(c1)C(F)(F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB67481
ChemicalName: 4-Fluoro-3-trifluoromethylbenzonitrile
CasNumber: 67515-59-7
MolecularFormula: C8H3F4N
MolecularWeight: 189.1097
MdlNumber: MFCD00061284
Smiles: N#Cc1ccc(c(c1)C(F)(F)F)F
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
AB67481
ChemicalName:
4-Fluoro-3-trifluoromethylbenzonitrile
CasNumber:
67515-59-7
MolecularFormula:
C8H3F4N
MolecularWeight:
189.1097
MdlNumber:
MFCD00061284
Smiles:
N#Cc1ccc(c(c1)C(F)(F)F)F
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6