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85895-87-0 | 1H-Naphth[1,2-d]imidazole-7-sulfonicacid, 1-[(2-chlorophenyl)amino]-9-hydroxy-2-methyl-, sodium salt (1:1)
CAS No: 85895-87-0 Catalog No: AG004QRB MDL No:
Product Description
Catalog Number:
AG004QRB
Chemical Name:
1H-Naphth[1,2-d]imidazole-7-sulfonicacid, 1-[(2-chlorophenyl)amino]-9-hydroxy-2-methyl-, sodium salt (1:1)
CAS Number:
85895-87-0
Molecular Formula:
C18H13ClN3NaO4S
Molecular Weight:
425.8213
IUPAC Name:
sodium;1-(2-chloroanilino)-9-hydroxy-2-methylbenzo[e]benzimidazole-7-sulfonate
InChI:
InChI=1S/C18H14ClN3O4S.Na/c1-10-20-15-7-6-11-8-12(27(24,25)26)9-16(23)17(11)18(15)22(10)21-14-5-3-2-4-13(14)19;/h2-9,21,23H,1H3,(H,24,25,26);/q;+1/p-1
InChI Key:
LKUASWNIWNQMLR-UHFFFAOYSA-M
SMILES:
Clc1ccccc1Nn1c(C)nc2c1c1c(O)cc(cc1cc2)S(=O)(=O)[O-].[Na+]
EC Number:
288-762-2
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.021g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
425.819g/mol
Monoisotopic Mass:
425.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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