Home Sulfos 3-bromo-2-cyanobenzene-1-sulfonyl chloride

3-bromo-2-cyanobenzene-1-sulfonyl chloride

CAS No.:
612541-16-9
Catalog Number:
AG01B8V9
Molecular Formula:
C7H3BrClNO2S
Molecular Weight:
280.5262
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Product Description
Catalog Number:
AG01B8V9
Chemical Name:
3-bromo-2-cyanobenzene-1-sulfonyl chloride
CAS Number:
612541-16-9
Molecular Formula:
C7H3BrClNO2S
Molecular Weight:
280.5262
MDL Number:
MFCD18390730
IUPAC Name:
3-bromo-2-cyanobenzenesulfonyl chloride
InChI:
InChI=1S/C7H3BrClNO2S/c8-6-2-1-3-7(5(6)4-10)13(9,11)12/h1-3H
InChI Key:
SLGAZEDYQWSNKB-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)cccc1S(=O)(=O)Cl
Properties
Complexity:
328  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.876g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.52g/mol
Monoisotopic Mass:
278.876g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties