AB64947
185945-88-4 | 3-Fluoro-4-methylsulfonylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB64947
ChemicalName
3-Fluoro-4-methylsulfonylbenzoic acid
CasNumber
185945-88-4
MolecularFormula
C8H7FO4S
MolecularWeight
218.2022
MdlNumber
MFCD09743730
Smiles
OC(=O)c1ccc(c(c1)F)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: AB64947
ChemicalName: 3-Fluoro-4-methylsulfonylbenzoic acid
CasNumber: 185945-88-4
MolecularFormula: C8H7FO4S
MolecularWeight: 218.2022
MdlNumber: MFCD09743730
Smiles: OC(=O)c1ccc(c(c1)F)S(=O)(=O)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB64947
ChemicalName:
3-Fluoro-4-methylsulfonylbenzoic acid
CasNumber:
185945-88-4
MolecularFormula:
C8H7FO4S
MolecularWeight:
218.2022
MdlNumber:
MFCD09743730
Smiles:
OC(=O)c1ccc(c(c1)F)S(=O)(=O)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AB64948
ChemicalName: 3-Fluoro-4-(methylsulfonyl)phenylboronic acid
CasNumber: 648904-83-0
MolecularFormula: C7H8BFO4S
MolecularWeight: 218.01042320000002
MdlNumber: MFCD09878323
Smiles: OB(c1ccc(c(c1)F)S(=O)(=O)C)O
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB64948
ChemicalName:
3-Fluoro-4-(methylsulfonyl)phenylboronic acid
CasNumber:
648904-83-0
MolecularFormula:
C7H8BFO4S
MolecularWeight:
218.01042320000002
MdlNumber:
MFCD09878323
Smiles:
OB(c1ccc(c(c1)F)S(=O)(=O)C)O
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(ccc1S(=O)(=O)C)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(ccc1S(=O)(=O)C)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(c(c1)F)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(c(c1)F)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__