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175203-78-8 molecular structure
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5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride

ChemBase ID: 10349
Molecular Formular: C6H2Cl2N2O3S
Molecular Mass: 253.06268
Monoisotopic Mass: 251.91631829
SMILES and InChIs

SMILES:
c1(ccc2c(c1S(=O)(=O)Cl)non2)Cl
Canonical SMILES:
Clc1ccc2c(c1S(=O)(=O)Cl)non2
InChI:
InChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4-5(10-13-9-4)6(3)14(8,11)12/h1-2H
InChIKey:
ZFBZICACMDZKNQ-UHFFFAOYSA-N

Cite this record

CBID:10349 http://www.chembase.cn/molecule-10349.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride
IUPAC Traditional name
5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride
Synonyms
5-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride
5-chlorobenzo[c][1,2,5]oxadiazole-4-sulfonyl chloride
5-Chlorobenzofurazan-4-sulfonyl chloride
5-Chloro-2,1,3-benzoxadiazole-4-sulphonyl chloride 97%
CAS Number
175203-78-8
MDL Number
MFCD00203878
PubChem SID
160973656
PubChem CID
2779275

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8736162  LogD (pH = 7.4) 1.8736162 
Log P 1.8736162  Molar Refractivity 51.1338 cm3
Polarizability 21.14717 Å3 Polar Surface Area 73.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
73-75°C expand Show data source
Storage Warning
Corrosive/Store under Argon expand Show data source
MOISTURE SENSITIVE, CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
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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