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13086-79-8 | Benzenesulfonic acid, 4-chloro-, phenylmethyl ester
CAS No: 13086-79-8 Catalog No: AG000V17 MDL No:
Product Description
Catalog Number:
AG000V17
Chemical Name:
Benzenesulfonic acid, 4-chloro-, phenylmethyl ester
CAS Number:
13086-79-8
Molecular Formula:
C13H11ClO3S
Molecular Weight:
282.7426
IUPAC Name:
benzyl 4-chlorobenzenesulfonate
InChI:
InChI=1S/C13H11ClO3S/c14-12-6-8-13(9-7-12)18(15,16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
WCLMVEPJTYCQOE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)OCc1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.738g/mol
Monoisotopic Mass:
282.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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