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Home > Bromides > 1261583-46-3
1261583-46-3 | Benzenesulfonyl chloride, 4-bromo-3-cyano-
CAS No: 1261583-46-3 Catalog No: AG000RUJ MDL No:MFCD18390733
Product Description
Catalog Number:
AG000RUJ
Chemical Name:
Benzenesulfonyl chloride, 4-bromo-3-cyano-
CAS Number:
1261583-46-3
Molecular Formula:
C7H3BrClNO2S
Molecular Weight:
280.5262
MDL Number:
MFCD18390733
IUPAC Name:
4-bromo-3-cyanobenzenesulfonyl chloride
InChI:
InChI=1S/C7H3BrClNO2S/c8-7-2-1-6(13(9,11)12)3-5(7)4-10/h1-3H
InChI Key:
MGLJFSPMLDDGBJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1Br)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
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