Home Sulfos 4-bromo-3-cyanobenzene-1-sulfonamide

4-bromo-3-cyanobenzene-1-sulfonamide

CAS No.:
1261670-91-0
Catalog Number:
AG01AKBT
Molecular Formula:
C7H5BrN2O2S
Molecular Weight:
261.0958
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Product Description
Catalog Number:
AG01AKBT
Chemical Name:
4-bromo-3-cyanobenzene-1-sulfonamide
CAS Number:
1261670-91-0
Molecular Formula:
C7H5BrN2O2S
Molecular Weight:
261.0958
MDL Number:
MFCD18390725
IUPAC Name:
4-bromo-3-cyanobenzenesulfonamide
InChI:
InChI=1S/C7H5BrN2O2S/c8-7-2-1-6(13(10,11)12)3-5(7)4-9/h1-3H,(H2,10,11,12)
InChI Key:
HAAPYHCGTMSBAY-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Br)S(=O)(=O)N
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.926g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.093g/mol
Monoisotopic Mass:
259.926g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties