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119735-46-5 | Benzenesulfonyl chloride, 3,4-bis(acetyloxy)-5-bromo-
CAS No: 119735-46-5 Catalog No: AG000PKH MDL No:
Product Description
Catalog Number:
AG000PKH
Chemical Name:
Benzenesulfonyl chloride, 3,4-bis(acetyloxy)-5-bromo-
CAS Number:
119735-46-5
Molecular Formula:
C10H8BrClO6S
Molecular Weight:
371.5889
IUPAC Name:
(2-acetyloxy-3-bromo-5-chlorosulfonylphenyl) acetate
InChI:
InChI=1S/C10H8BrClO6S/c1-5(13)17-9-4-7(19(12,15)16)3-8(11)10(9)18-6(2)14/h3-4H,1-2H3
InChI Key:
KXHJSKIXYCFMLN-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(cc(c1OC(=O)C)Br)S(=O)(=O)Cl
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.891g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.582g/mol
Monoisotopic Mass:
369.891g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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