chempirical

Pmsf

C7H7FO2SCAS 329-98-6174.19 g/mol

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OSOF

Properties

Molecular formula
C7H7FO2S
Molar mass
174.19 g/mol
Exact mass
174.0151 Da
Boiling point
146.2 °C (at 83 Torr)
logP
1.49Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
329-98-6
SMILES
O=S(=O)(F)Cc1ccccc1
InChIKey
YBYRMVIVWMBXKQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2

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Names and synonyms

6 names
  • Benzenemethanesulfonyl fluoride
  • α-Toluenesulfonyl fluoride
  • Phenylmethanesulfonyl fluoride
  • Phenylmethylsulfonyl fluoride
  • NSC 88499
  • Benzylsulfonyl fluoride

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Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzenemethanesulfonyl chloride1939-99-750 % similar [(Phenylmethyl)sulfonyl]benzene3112-88-750 % similar [(Methylsulfonyl)methyl]benzene3112-90-150 % similar Phenylmethanesulfonamide4563-33-150 % similar p-Amidinophenylmethanesulfonyl fluoride hydrochloride74938-88-847 % similar Benzenesulfonyl fluoride368-43-439 % similar Bibenzyl103-29-739 % similar Diphenylmethane101-81-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Fluorophenyl methyl sulfone455-15-2 4-Methylbenzenesulfonyl fluoride455-16-3

Elsewhere

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