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82126-74-7

82126-74-7 | Benzenesulfonyl isocyanate, 2-(methylsulfonyl)-

CAS No: 82126-74-7 Catalog No: AG005AA3 MDL No:

Product Description

Catalog Number:
AG005AA3
Chemical Name:
Benzenesulfonyl isocyanate, 2-(methylsulfonyl)-
CAS Number:
82126-74-7
Molecular Formula:
C8H7NO5S2
Molecular Weight:
261.2749
IUPAC Name:
2-methylsulfonyl-N-(oxomethylidene)benzenesulfonamide
InChI:
InChI=1S/C8H7NO5S2/c1-15(11,12)7-4-2-3-5-8(7)16(13,14)9-6-10/h2-5H,1H3
InChI Key:
GEUWGNYLBKLCQW-UHFFFAOYSA-N
SMILES:
O=C=NS(=O)(=O)c1ccccc1S(=O)(=O)C

Properties

Complexity:
490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.977g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.266g/mol
Monoisotopic Mass:
260.977g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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