AB62129
142994-04-5 | 2-Fluoro-4-(methylsulfonyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB62129
ChemicalName
2-Fluoro-4-(methylsulfonyl)benzoic acid
CasNumber
142994-04-5
MolecularFormula
C8H7FO4S
MolecularWeight
218.2022
MdlNumber
MFCD11615492
Smiles
OC(=O)c1ccc(cc1F)S(=O)(=O)C
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AB62129
ChemicalName: 2-Fluoro-4-(methylsulfonyl)benzoic acid
CasNumber: 142994-04-5
MolecularFormula: C8H7FO4S
MolecularWeight: 218.2022
MdlNumber: MFCD11615492
Smiles: OC(=O)c1ccc(cc1F)S(=O)(=O)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB62129
ChemicalName:
2-Fluoro-4-(methylsulfonyl)benzoic acid
CasNumber:
142994-04-5
MolecularFormula:
C8H7FO4S
MolecularWeight:
218.2022
MdlNumber:
MFCD11615492
Smiles:
OC(=O)c1ccc(cc1F)S(=O)(=O)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AB62130
ChemicalName: 2-Fluoro-4-(methylsulfonyl)phenylboronic acid
CasNumber: 957060-85-4
MolecularFormula: C7H8BFO4S
MolecularWeight: 218.0104232
MdlNumber: MFCD09027248
Smiles: OB(c1ccc(cc1F)S(=O)(=O)C)O
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB62130
ChemicalName:
2-Fluoro-4-(methylsulfonyl)phenylboronic acid
CasNumber:
957060-85-4
MolecularFormula:
C7H8BFO4S
MolecularWeight:
218.0104232
MdlNumber:
MFCD09027248
Smiles:
OB(c1ccc(cc1F)S(=O)(=O)C)O
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB62131
ChemicalName: 2-Fluoro-4-(methylsulfonyl)toluene
CasNumber: 828270-60-6
MolecularFormula: C8H9FO2S
MolecularWeight: 188.2193
MdlNumber: MFCD14585007
Smiles: Cc1ccc(cc1F)S(=O)(=O)C
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AB62131
ChemicalName:
2-Fluoro-4-(methylsulfonyl)toluene
CasNumber:
828270-60-6
MolecularFormula:
C8H9FO2S
MolecularWeight:
188.2193
MdlNumber:
MFCD14585007
Smiles:
Cc1ccc(cc1F)S(=O)(=O)C
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: AB62132
ChemicalName: 2-Fluoro-4-(trifluoromethyl)benzaldehyde
CasNumber: 89763-93-9
MolecularFormula: C8H4F4O
MolecularWeight: 192.1103728
MdlNumber: MFCD00061310
Smiles: O=Cc1ccc(cc1F)C(F)(F)F
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB62132
ChemicalName:
2-Fluoro-4-(trifluoromethyl)benzaldehyde
CasNumber:
89763-93-9
MolecularFormula:
C8H4F4O
MolecularWeight:
192.1103728
MdlNumber:
MFCD00061310
Smiles:
O=Cc1ccc(cc1F)C(F)(F)F
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.4