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89222-87-7 | 2,6-Naphthalenedisulfonic acid, 3-chloro-
CAS No: 89222-87-7 Catalog No: AG0043LJ MDL No:
Product Description
Catalog Number:
AG0043LJ
Chemical Name:
2,6-Naphthalenedisulfonic acid, 3-chloro-
CAS Number:
89222-87-7
Molecular Formula:
C10H7ClO6S2
Molecular Weight:
322.7420
IUPAC Name:
3-chloronaphthalene-2,6-disulfonic acid
InChI:
InChI=1S/C10H7ClO6S2/c11-9-4-7-3-8(18(12,13)14)2-1-6(7)5-10(9)19(15,16)17/h1-5H,(H,12,13,14)(H,15,16,17)
InChI Key:
DKXOUVHRDJCGRG-UHFFFAOYSA-N
SMILES:
Clc1cc2cc(ccc2cc1S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.937g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.73g/mol
Monoisotopic Mass:
321.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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