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2138332-78-0,MFCD31456955
Catalog No.:AA01EIRY
2138332-78-0 | (2,1,3-benzoxadiazol-5-yl)methanesulfonyl chloride
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Technical Information
Catalog Number:
AA01EIRY
Chemical Name:
(2,1,3-benzoxadiazol-5-yl)methanesulfonyl chloride
CAS Number:
2138332-78-0
Molecular Formula:
C7H5ClN2O3S
Molecular Weight:
232.6442
MDL Number:
MFCD31456955
IUPAC Name:
2,1,3-benzoxadiazol-5-ylmethanesulfonyl chloride
InChI:
InChI=1S/C7H5ClN2O3S/c8-14(11,12)4-5-1-2-6-7(3-5)10-13-9-6/h1-3H,4H2
InChI Key:
PJABDERKAGOGIH-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)Cc1ccc2c(c1)non2
Properties
Computed Properties
 
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.971g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.638g/mol
Monoisotopic Mass:
231.971g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
(2,1,3-benzoxadiazol-5-yl)methanesulfonyl chloride 
2138332-78-0 
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