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Home > Sulfanilamide > 3665-08-5
3665-08-5 | Benzenesulfonamide, 4-(cyanomethyl)- (9CI)
CAS No: 3665-08-5 Catalog No: AG00CP28 MDL No:MFCD01657736
Product Description
Catalog Number:
AG00CP28
Chemical Name:
Benzenesulfonamide, 4-(cyanomethyl)- (9CI)
CAS Number:
3665-08-5
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD01657736
IUPAC Name:
4-(cyanomethyl)benzenesulfonamide
InChI:
InChI=1S/C8H8N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5H2,(H2,10,11,12)
InChI Key:
KMDZAPVMOLFJLY-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)S(=O)(=O)N
Properties
Complexity:
301
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:
2
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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