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52320-62-4

52320-62-4 | Benzenesulfonamide, 3-(cyanomethyl)- (9CI)

CAS No: 52320-62-4 Catalog No: AG00DHCX MDL No:MFCD18825599

Product Description

Catalog Number:
AG00DHCX
Chemical Name:
Benzenesulfonamide, 3-(cyanomethyl)- (9CI)
CAS Number:
52320-62-4
Molecular Formula:
C8H8N2O2S
Molecular Weight:
196.2263
MDL Number:
MFCD18825599
IUPAC Name:
3-(cyanomethyl)benzenesulfonamide
InChI:
InChI=1S/C8H8N2O2S/c9-5-4-7-2-1-3-8(6-7)13(10,11)12/h1-3,6H,4H2,(H2,10,11,12)
InChI Key:
UMHPWOVPACYGPY-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)S(=O)(=O)N

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:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

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