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113458-97-2 | 2-Naphthalenesulfonic acid, 4-chloro-6,7-dihydroxy-
CAS No: 113458-97-2 Catalog No: AG0008NA MDL No:
Product Description
Catalog Number:
AG0008NA
Chemical Name:
2-Naphthalenesulfonic acid, 4-chloro-6,7-dihydroxy-
CAS Number:
113458-97-2
Molecular Formula:
C10H7ClO5S
Molecular Weight:
274.6776
IUPAC Name:
4-chloro-6,7-dihydroxynaphthalene-2-sulfonic acid
InChI:
InChI=1S/C10H7ClO5S/c11-8-3-6(17(14,15)16)1-5-2-9(12)10(13)4-7(5)8/h1-4,12-13H,(H,14,15,16)
InChI Key:
GTCZQGWWJDIYBD-UHFFFAOYSA-N
SMILES:
Oc1cc2cc(cc(c2cc1O)Cl)S(=O)(=O)O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.97g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
274.671g/mol
Monoisotopic Mass:
273.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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