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Home > Nitro Compounds > 16468-10-3
16468-10-3 | 1-Naphthalenesulfonic acid, 8-hydroxy-5-[2-(4-nitrophenyl)diazenyl]-
CAS No: 16468-10-3 Catalog No: AG001V1G MDL No:
Product Description
Catalog Number:
AG001V1G
Chemical Name:
1-Naphthalenesulfonic acid, 8-hydroxy-5-[2-(4-nitrophenyl)diazenyl]-
CAS Number:
16468-10-3
Molecular Formula:
C16H11N3O6S
Molecular Weight:
373.3400
IUPAC Name:
8-hydroxy-5-[(4-nitrophenyl)diazenyl]naphthalene-1-sulfonic acid
InChI:
InChI=1S/C16H11N3O6S/c20-14-9-8-13(12-2-1-3-15(16(12)14)26(23,24)25)18-17-10-4-6-11(7-5-10)19(21)22/h1-9,20H,(H,23,24,25)
InChI Key:
MLOITZWAQLMUHC-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1c(ccc2)S(=O)(=O)O)N=Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.037g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.339g/mol
Monoisotopic Mass:
373.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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