Home Sulfos 2-bromo-4-cyanobenzene-1-sulfonyl chloride

2-bromo-4-cyanobenzene-1-sulfonyl chloride

CAS No.:
1098387-29-1
Catalog Number:
AG019LEX
Molecular Formula:
C7H3BrClNO2S
Molecular Weight:
280.5262
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Product Description
Catalog Number:
AG019LEX
Chemical Name:
2-bromo-4-cyanobenzene-1-sulfonyl chloride
CAS Number:
1098387-29-1
Molecular Formula:
C7H3BrClNO2S
Molecular Weight:
280.5262
MDL Number:
MFCD13634254
IUPAC Name:
2-bromo-4-cyanobenzenesulfonyl chloride
InChI:
InChI=1S/C7H3BrClNO2S/c8-6-3-5(4-10)1-2-7(6)13(9,11)12/h1-3H
InChI Key:
VQLXVSAILFHTBT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)S(=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