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Home > Nitro Compounds > 88638-69-1
88638-69-1 | Ethanone, 1-[4-[(2-hydroxy-1-naphthalenyl)azo]-3-nitrophenyl]-
CAS No: 88638-69-1 Catalog No: AG004AEA MDL No:
Product Description
Catalog Number:
AG004AEA
Chemical Name:
Ethanone, 1-[4-[(2-hydroxy-1-naphthalenyl)azo]-3-nitrophenyl]-
CAS Number:
88638-69-1
Molecular Formula:
C18H13N3O4
Molecular Weight:
335.3135
IUPAC Name:
1-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-nitrophenyl]ethanone
InChI:
InChI=1S/C18H13N3O4/c1-11(22)13-6-8-15(16(10-13)21(24)25)19-20-18-14-5-3-2-4-12(14)7-9-17(18)23/h2-10,23H,1H3
InChI Key:
NEBWRLAJHZUDKU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)C(=O)C
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.091g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.319g/mol
Monoisotopic Mass:
335.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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