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24974-72-9 molecular structure
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(3-fluorophenyl)methanesulfonyl chloride

ChemBase ID: 19256
Molecular Formular: C7H6ClFO2S
Molecular Mass: 208.6377432
Monoisotopic Mass: 207.97610633
SMILES and InChIs

SMILES:
S(=O)(=O)(Cc1cc(F)ccc1)Cl
Canonical SMILES:
Fc1cccc(c1)CS(=O)(=O)Cl
InChI:
InChI=1S/C7H6ClFO2S/c8-12(10,11)5-6-2-1-3-7(9)4-6/h1-4H,5H2
InChIKey:
QKGIPEQAFOXGSI-UHFFFAOYSA-N

Cite this record

CBID:19256 http://www.chembase.cn/molecule-19256.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3-fluorophenyl)methanesulfonyl chloride
IUPAC Traditional name
(3-fluorophenyl)methanesulfonyl chloride
Synonyms
(3-fluorophenyl)methanesulfonyl chloride
(3-Fluorophenyl)methanesulphonyl chloride
3-Fluorobenzylsulphonyl chloride 97%
(3-Fluoro-phenyl)-methanesulfonyl chloride
CAS Number
24974-72-9
MDL Number
MFCD04117456
PubChem SID
160982563
PubChem CID
2759107

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 34.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 18.316813 
H Acceptors H Donor
LogD (pH = 5.5) 1.8243871  LogD (pH = 7.4) 1.8243871 
Log P 1.8243871  Molar Refractivity 45.056 cm3
Polarizability 18.052225 Å3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
38 - 40°C expand Show data source
39-41°C expand Show data source
Partition Coefficient
2.38 expand Show data source
Hydrophobicity(logP)
0.578 expand Show data source
Storage Warning
Corrosive/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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