Home Nitros 1,8-Dinitronaphthalene

1,8-Dinitronaphthalene

CAS No.:
602-38-0
Catalog Number:
AG003DS5
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
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Product Description
Catalog Number:
AG003DS5
Chemical Name:
1,8-Dinitronaphthalene
CAS Number:
602-38-0
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
MDL Number:
MFCD00003918
IUPAC Name:
1,8-dinitronaphthalene
InChI:
InChI=1S/C10H6N2O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H
InChI Key:
AVCSMMMOCOTIHF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-]
EC Number:
210-016-1
UNII:
H6D9Q0K9E6
NSC Number:
6323
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.033g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.168g/mol
Monoisotopic Mass:
218.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Photocatalytic oxidation of dinitronaphthalenes: theory and experiment. Chemosphere 20090501
Determination of mono-, di- and trinitronaphthalenes in soil samples contaminated by explosives. Chemosphere 20041101
Properties