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Home > Sulfanilamide > 857003-69-1
857003-69-1 | 4-cyano-2-methylbenzene-1-sulfonamide
CAS No: 857003-69-1 Catalog No: AG01B1NQ MDL No:MFCD16093758
Product Description
Catalog Number:
AG01B1NQ
Chemical Name:
4-cyano-2-methylbenzene-1-sulfonamide
CAS Number:
857003-69-1
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD16093758
IUPAC Name:
4-cyano-2-methylbenzenesulfonamide
InChI:
InChI=1S/C8H8N2O2S/c1-6-4-7(5-9)2-3-8(6)13(10,11)12/h2-4H,1H3,(H2,10,11,12)
InChI Key:
ZPBWQJVJQZCWLG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)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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