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Home > Nitro Compounds > 88779-08-2
88779-08-2 | 1-Naphthalenol, 4-[(5-nitro-2-thiazolyl)azo]-
CAS No: 88779-08-2 Catalog No: AG004B25 MDL No:
Product Description
Catalog Number:
AG004B25
Chemical Name:
1-Naphthalenol, 4-[(5-nitro-2-thiazolyl)azo]-
CAS Number:
88779-08-2
Molecular Formula:
C13H8N4O3S
Molecular Weight:
300.2926
IUPAC Name:
4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]naphthalen-1-ol
InChI:
InChI=1S/C13H8N4O3S/c18-11-6-5-10(8-3-1-2-4-9(8)11)15-16-13-14-7-12(21-13)17(19)20/h1-7,18H
InChI Key:
DEVYUOBFVYJBKY-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1cccc2)N=Nc1ncc(s1)[N+](=O)[O-]
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.032g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.292g/mol
Monoisotopic Mass:
300.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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