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23287-85-6 | 2,7-Naphthalenedisulfonic acid, 4-[2-(6-chloro-1H-indazol-3-yl)diazenyl]-3-hydroxy-
CAS No: 23287-85-6 Catalog No: AG002MRB MDL No:
Product Description
Catalog Number:
AG002MRB
Chemical Name:
2,7-Naphthalenedisulfonic acid, 4-[2-(6-chloro-1H-indazol-3-yl)diazenyl]-3-hydroxy-
CAS Number:
23287-85-6
Molecular Formula:
C17H11ClN4O7S2
Molecular Weight:
482.8748
IUPAC Name:
4-[(6-chloro-1H-indazol-3-yl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C17H11ClN4O7S2/c18-9-1-3-12-13(7-9)19-21-17(12)22-20-15-11-4-2-10(30(24,25)26)5-8(11)6-14(16(15)23)31(27,28)29/h1-7,23H,(H,19,21)(H,24,25,26)(H,27,28,29)
InChI Key:
VZXDTBRHUUMLAE-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[nH]nc2N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
906
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.976g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
482.866g/mol
Monoisotopic Mass:
481.976g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
199A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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