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Home > Nitro Compounds > 16275-25-5
16275-25-5 | Naphthalene, 2,6-dimethyl-1,5-dinitro-
CAS No: 16275-25-5 Catalog No: AG001TEN MDL No:
Product Description
Catalog Number:
AG001TEN
Chemical Name:
Naphthalene, 2,6-dimethyl-1,5-dinitro-
CAS Number:
16275-25-5
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
IUPAC Name:
2,6-dimethyl-1,5-dinitronaphthalene
InChI:
InChI=1S/C12H10N2O4/c1-7-3-5-10-9(11(7)13(15)16)6-4-8(2)12(10)14(17)18/h3-6H,1-2H3
InChI Key:
HNFYEKHUPOUFBE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)ccc2c1ccc(c2[N+](=O)[O-])C
NSC Number:
126651
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.222g/mol
Monoisotopic Mass:
246.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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