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Home > Nitro Compounds > 25926-45-8
25926-45-8 | Benzenesulfonic acid, 2-hydroxy-3-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-nitro-
CAS No: 25926-45-8 Catalog No: AG002R3I MDL No:
Product Description
Catalog Number:
AG002R3I
Chemical Name:
Benzenesulfonic acid, 2-hydroxy-3-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-5-nitro-
CAS Number:
25926-45-8
Molecular Formula:
C16H11N3O7S
Molecular Weight:
389.3394
IUPAC Name:
2-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-nitrobenzenesulfonic acid
InChI:
InChI=1S/C16H11N3O7S/c20-13-6-5-9-3-1-2-4-11(9)15(13)18-17-12-7-10(19(22)23)8-14(16(12)21)27(24,25)26/h1-8,20-21H,(H,24,25,26)
InChI Key:
DGHYCCNYKZSGDB-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1N=Nc1cc(cc(c1O)S(=O)(=O)O)[N+](=O)[O-])cccc2
EC Number:
247-350-2
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.032g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
389.338g/mol
Monoisotopic Mass:
389.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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