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88801-92-7 | Benzenesulfonic acid, 4-chloro-, (3-bromophenyl)methyl ester
CAS No: 88801-92-7 Catalog No: AG004ARC MDL No:
Product Description
Catalog Number:
AG004ARC
Chemical Name:
Benzenesulfonic acid, 4-chloro-, (3-bromophenyl)methyl ester
CAS Number:
88801-92-7
Molecular Formula:
C13H10BrClO3S
Molecular Weight:
361.6387
IUPAC Name:
(3-bromophenyl)methyl 4-chlorobenzenesulfonate
InChI:
InChI=1S/C13H10BrClO3S/c14-11-3-1-2-10(8-11)9-18-19(16,17)13-6-4-12(15)5-7-13/h1-8H,9H2
InChI Key:
VCWISRPSTKCSMM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)OCc1cccc(c1)Br
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.922g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.634g/mol
Monoisotopic Mass:
359.922g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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