Home Sulfos 2-cyano-4-nitrobenzene-1-sulfonamide

2-cyano-4-nitrobenzene-1-sulfonamide

CAS No.:
1099632-48-0
Catalog Number:
AG01ALTW
Molecular Formula:
C7H5N3O4S
Molecular Weight:
227.1973
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Product Description
Catalog Number:
AG01ALTW
Chemical Name:
2-cyano-4-nitrobenzene-1-sulfonamide
CAS Number:
1099632-48-0
Molecular Formula:
C7H5N3O4S
Molecular Weight:
227.1973
MDL Number:
MFCD11650655
IUPAC Name:
2-cyano-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C7H5N3O4S/c8-4-5-3-6(10(11)12)1-2-7(5)15(9,13)14/h1-3H,(H2,9,13,14)
InChI Key:
TWDKNEKKNLQMFP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1S(=O)(=O)N)[N+](=O)[O-]
Properties
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.194g/mol
Monoisotopic Mass:
227g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties