AB59734
5211-44-9 | 2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB59734
ChemicalName
2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid
CasNumber
5211-44-9
MolecularFormula
C7H2F4O2S
MolecularWeight
226.1482
MdlNumber
MFCD00129954
Smiles
Fc1c(F)c(C(=O)O)c(c(c1S)F)F
NscNumber
168719
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
2
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CatalogNumber: AB59734
ChemicalName: 2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid
CasNumber: 5211-44-9
MolecularFormula: C7H2F4O2S
MolecularWeight: 226.1482
MdlNumber: MFCD00129954
Smiles: Fc1c(F)c(C(=O)O)c(c(c1S)F)F
NscNumber: 168719
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB59734
ChemicalName:
2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid
CasNumber:
5211-44-9
MolecularFormula:
C7H2F4O2S
MolecularWeight:
226.1482
MdlNumber:
MFCD00129954
Smiles:
Fc1c(F)c(C(=O)O)c(c(c1S)F)F
NscNumber:
168719
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: AB59735
ChemicalName: 2,3,5,6-Tetrafluoro-4-methylbenzoic acid
CasNumber: 652-32-4
MolecularFormula: C8H4F4O2
MolecularWeight: 208.1098
MdlNumber: MFCD00012302
Smiles: Fc1c(C)c(F)c(c(c1F)C(=O)O)F
NscNumber: 168718
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB59735
ChemicalName:
2,3,5,6-Tetrafluoro-4-methylbenzoic acid
CasNumber:
652-32-4
MolecularFormula:
C8H4F4O2
MolecularWeight:
208.1098
MdlNumber:
MFCD00012302
Smiles:
Fc1c(C)c(F)c(c(c1F)C(=O)O)F
NscNumber:
168718
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: AB59736
ChemicalName: 2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol
CasNumber: 79538-03-7
MolecularFormula: C8H6F4O
MolecularWeight: 194.1263
MdlNumber: MFCD03093260
Smiles: OCc1c(F)c(F)c(c(c1F)F)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB59736
ChemicalName:
2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol
CasNumber:
79538-03-7
MolecularFormula:
C8H6F4O
MolecularWeight:
194.1263
MdlNumber:
MFCD03093260
Smiles:
OCc1c(F)c(F)c(c(c1F)F)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB59737
ChemicalName: 2,3,5,6-Tetrafluorobenzoic acid
CasNumber: 652-18-6
MolecularFormula: C7H2F4O2
MolecularWeight: 194.0832
MdlNumber: MFCD00002408
Smiles: Fc1cc(F)c(c(c1F)C(=O)O)F
NscNumber: __
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AB59737
ChemicalName:
2,3,5,6-Tetrafluorobenzoic acid
CasNumber:
652-18-6
MolecularFormula:
C7H2F4O2
MolecularWeight:
194.0832
MdlNumber:
MFCD00002408
Smiles:
Fc1cc(F)c(c(c1F)C(=O)O)F
NscNumber:
__
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2