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141263-69-6 | Benzenehexanesulfonic acid, 2,4-dichloro-β,δ-dihydroxy-, monopotassium salt, [R-(R*,R*)]- (9CI)
CAS No: 141263-69-6 Catalog No: AG001G5C MDL No:
Product Description
Catalog Number:
AG001G5C
Chemical Name:
Benzenehexanesulfonic acid, 2,4-dichloro-β,δ-dihydroxy-, monopotassium salt, [R-(R*,R*)]- (9CI)
CAS Number:
141263-69-6
IUPAC Name:
6-(2,4-dichlorophenyl)-2,4-dihydroxyhexane-1-sulfonic acid
InChI:
InChI=1S/C12H16Cl2O5S/c13-9-3-1-8(12(14)5-9)2-4-10(15)6-11(16)7-20(17,18)19/h1,3,5,10-11,15-16H,2,4,6-7H2,(H,17,18,19)
InChI Key:
PHLQGCATGWTWPZ-UHFFFAOYSA-N
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.01g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.215g/mol
Monoisotopic Mass:
342.01g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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