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Home > Nitro Compounds > 88779-07-1
88779-07-1 | 1-Naphthalenol, 2-[(5-nitro-2-thiazolyl)azo]-
CAS No: 88779-07-1 Catalog No: AG004CZD MDL No:
Product Description
Catalog Number:
AG004CZD
Chemical Name:
1-Naphthalenol, 2-[(5-nitro-2-thiazolyl)azo]-
CAS Number:
88779-07-1
Molecular Formula:
C13H8N4O3S
Molecular Weight:
300.2926
IUPAC Name:
2-[(5-nitro-1,3-thiazol-2-yl)diazenyl]naphthalen-1-ol
InChI:
InChI=1S/C13H8N4O3S/c18-12-9-4-2-1-3-8(9)5-6-10(12)15-16-13-14-7-11(21-13)17(19)20/h1-7,18H
InChI Key:
VRTHRTDYWFPPJA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(s1)N=Nc1ccc2c(c1O)cccc2
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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