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Home > Nitro Compounds > 116539-66-3
116539-66-3 | 1,4-Naphthalenedione, 2,3-dinitro-
CAS No: 116539-66-3 Catalog No: AG000CPT MDL No:
Product Description
Catalog Number:
AG000CPT
Chemical Name:
1,4-Naphthalenedione, 2,3-dinitro-
CAS Number:
116539-66-3
Molecular Formula:
C10H4N2O6
Molecular Weight:
248.1486
IUPAC Name:
2,3-dinitronaphthalene-1,4-dione
InChI:
InChI=1S/C10H4N2O6/c13-9-5-3-1-2-4-6(5)10(14)8(12(17)18)7(9)11(15)16/h1-4H
InChI Key:
CFWKKCDXWWDKNJ-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)C(=C1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.15g/mol
Monoisotopic Mass:
248.007g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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