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353468-48-1 | BENZENESULFONAMIDE, 3-CYANO-4-METHYL-
CAS No: 353468-48-1 Catalog No: AG007CRY MDL No:MFCD01647569
Product Description
Catalog Number:
AG007CRY
Chemical Name:
BENZENESULFONAMIDE, 3-CYANO-4-METHYL-
CAS Number:
353468-48-1
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD01647569
IUPAC Name:
3-cyano-4-methylbenzenesulfonamide
InChI:
InChI=1S/C8H8N2O2S/c1-6-2-3-8(13(10,11)12)4-7(6)5-9/h2-4H,1H3,(H2,10,11,12)
InChI Key:
IUUQLQTXQLKIGA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C)S(=O)(=O)N
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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