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163295-71-4 molecular structure
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(2,5-dichlorophenyl)methanesulfonyl chloride

ChemBase ID: 88916
Molecular Formular: C7H5Cl3O2S
Molecular Mass: 259.5374
Monoisotopic Mass: 257.90758344
SMILES and InChIs

SMILES:
S(=O)(=O)(Cc1c(ccc(c1)Cl)Cl)Cl
Canonical SMILES:
Clc1ccc(c(c1)CS(=O)(=O)Cl)Cl
InChI:
InChI=1S/C7H5Cl3O2S/c8-6-1-2-7(9)5(3-6)4-13(10,11)12/h1-3H,4H2
InChIKey:
DHIDMPXMRCSOHM-UHFFFAOYSA-N

Cite this record

CBID:88916 http://www.chembase.cn/molecule-88916.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,5-dichlorophenyl)methanesulfonyl chloride
IUPAC Traditional name
(2,5-dichlorophenyl)methanesulfonyl chloride
Synonyms
alpha-(Chlorosulphonyl)-2,3-dichlorotoluene
(2,5-Dichlorophenyl)methanesulphonyl chloride
CAS Number
163295-71-4
MDL Number
MFCD11976103
PubChem SID
162075812
PubChem CID
53760216

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR43512 external link Add to cart Please log in.
Data Source Data ID
PubChem 53760216 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.38483  H Acceptors
H Donor LogD (pH = 5.5) 2.8897743 
LogD (pH = 7.4) 2.8897743  Log P 2.8897743 
Molar Refractivity 54.4492 cm3 Polarizability 22.16933 Å3
Polar Surface Area 34.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive/Moisture Sensitive/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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