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Home > Nitro Compounds > 158812-04-5
158812-04-5 | 2-Propanone, 1-(2,4-dinitro-1-naphthalenyl)-
CAS No: 158812-04-5 Catalog No: AG001QWE MDL No:
Product Description
Catalog Number:
AG001QWE
Chemical Name:
2-Propanone, 1-(2,4-dinitro-1-naphthalenyl)-
CAS Number:
158812-04-5
Molecular Formula:
C13H10N2O5
Molecular Weight:
274.2289
IUPAC Name:
1-(2,4-dinitronaphthalen-1-yl)propan-2-one
InChI:
InChI=1S/C13H10N2O5/c1-8(16)6-11-9-4-2-3-5-10(9)12(14(17)18)7-13(11)15(19)20/h2-5,7H,6H2,1H3
InChI Key:
KCNFPLFQJJCWCP-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1c(cc(c2c1cccc2)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.232g/mol
Monoisotopic Mass:
274.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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