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606-37-1 | 1,3-DINITRONAPHTHALENE
CAS No: 606-37-1 Catalog No: AG003DKO MDL No:MFCD00003915
Product Description
Catalog Number:
AG003DKO
Chemical Name:
1,3-DINITRONAPHTHALENE
CAS Number:
606-37-1
Molecular Formula:
C10H6N2O4
Molecular Weight:
218.1656
MDL Number:
MFCD00003915
IUPAC Name:
1,3-dinitronaphthalene
InChI:
InChI=1S/C10H6N2O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h1-6H
InChI Key:
ULALSFRIGPMWRS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-]
EC Number:
210-116-5
UNII:
D55U333CQS
NSC Number:
74478
Properties
Complexity:
296
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:
2.8
Literature
| Title | Journal |
|---|---|
| Photocatalytic oxidation of dinitronaphthalenes: theory and experiment. | Chemosphere 20090501 |
| 2,4-Dinitro-1-naphthyl 4-toluene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20080501 |
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