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Home > Nitro Compounds > 652139-42-9
652139-42-9 | 2-Naphthalenol, 1-[(2-methyl-3,5-dinitrophenyl)azo]-
CAS No: 652139-42-9 Catalog No: AG00H6ZK MDL No:
Product Description
Catalog Number:
AG00H6ZK
Chemical Name:
2-Naphthalenol, 1-[(2-methyl-3,5-dinitrophenyl)azo]-
CAS Number:
652139-42-9
Molecular Formula:
C17H12N4O5
Molecular Weight:
352.3010
IUPAC Name:
1-[(2-methyl-3,5-dinitrophenyl)diazenyl]naphthalen-2-ol
InChI:
InChI=1S/C17H12N4O5/c1-10-14(8-12(20(23)24)9-15(10)21(25)26)18-19-17-13-5-3-2-4-11(13)6-7-16(17)22/h2-9,22H,1H3
InChI Key:
WOINUTHTCQHQGJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(N=Nc2c(O)ccc3c2cccc3)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.081g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.306g/mol
Monoisotopic Mass:
352.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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