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3118-68-1 | 3-Cyanobenzenesulfonamide
CAS No: 3118-68-1 Catalog No: AG003JC4 MDL No:MFCD02089633
Product Description
Catalog Number:
AG003JC4
Chemical Name:
3-Cyanobenzenesulfonamide
CAS Number:
3118-68-1
Molecular Formula:
C7H6N2O2S
Molecular Weight:
182.1997
MDL Number:
MFCD02089633
IUPAC Name:
3-cyanobenzenesulfonamide
InChI:
InChI=1S/C7H6N2O2S/c8-5-6-2-1-3-7(4-6)12(9,10)11/h1-4H,(H2,9,10,11)
InChI Key:
LTOFQPCBIZPXFH-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)S(=O)(=O)N
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.197g/mol
Monoisotopic Mass:
182.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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