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10154-63-9 | Benzenesulfonic acid, 2,5-dichloro-, tetramethylene ester (7CI,8CI)
CAS No: 10154-63-9 Catalog No: AG0004RA MDL No:
Product Description
Catalog Number:
AG0004RA
Chemical Name:
Benzenesulfonic acid, 2,5-dichloro-, tetramethylene ester (7CI,8CI)
CAS Number:
10154-63-9
Molecular Formula:
C16H14Cl4O6S2
Molecular Weight:
508.2208
IUPAC Name:
4-(2,5-dichlorophenyl)sulfonyloxybutyl 2,5-dichlorobenzenesulfonate
InChI:
InChI=1S/C16H14Cl4O6S2/c17-11-3-5-13(19)15(9-11)27(21,22)25-7-1-2-8-26-28(23,24)16-10-12(18)4-6-14(16)20/h3-6,9-10H,1-2,7-8H2
InChI Key:
VZBBJNVXWUULNK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1S(=O)(=O)OCCCCOS(=O)(=O)c1cc(Cl)ccc1Cl)Cl
NSC Number:
92604
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.896g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
508.202g/mol
Monoisotopic Mass:
505.899g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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