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145949-91-3 | 1,2-Ethanedisulfonic acid, 1-(4-chlorophenyl)-1-hydroxy-
CAS No: 145949-91-3 Catalog No: AG001DIY MDL No:
Product Description
Catalog Number:
AG001DIY
Chemical Name:
1,2-Ethanedisulfonic acid, 1-(4-chlorophenyl)-1-hydroxy-
CAS Number:
145949-91-3
Molecular Formula:
C8H9ClO7S2
Molecular Weight:
316.7359
IUPAC Name:
1-(4-chlorophenyl)-1-hydroxyethane-1,2-disulfonic acid
InChI:
InChI=1S/C8H9ClO7S2/c9-7-3-1-6(2-4-7)8(10,18(14,15)16)5-17(11,12)13/h1-4,10H,5H2,(H,11,12,13)(H,14,15,16)
InChI Key:
PNPHTZJKZMREQT-UHFFFAOYSA-N
SMILES:
OC(S(=O)(=O)O)(c1ccc(cc1)Cl)CS(=O)(=O)O
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.948g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
316.723g/mol
Monoisotopic Mass:
315.948g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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