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50790-30-2 | N-(3-Cyanophenyl);methanesulfonamide
CAS No: 50790-30-2 Catalog No: AG003I8I MDL No:MFCD00116199
Product Description
Catalog Number:
AG003I8I
Chemical Name:
N-(3-Cyanophenyl);methanesulfonamide
CAS Number:
50790-30-2
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD00116199
IUPAC Name:
N-(3-cyanophenyl)methanesulfonamide
InChI:
InChI=1S/C8H8N2O2S/c1-13(11,12)10-8-4-2-3-7(5-8)6-9/h2-5,10H,1H3
InChI Key:
CNTYWEJSOJXQKO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NS(=O)(=O)C
Properties
Complexity:
309
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:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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