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Home > Nitro Compounds > 89257-82-9
89257-82-9 | Phosphonic acid, (2,6-dimethyl-3,5-dinitro-4-pyridinyl)-, monoethyl ester
CAS No: 89257-82-9 Catalog No: AG0042IJ MDL No:
Product Description
Catalog Number:
AG0042IJ
Chemical Name:
Phosphonic acid, (2,6-dimethyl-3,5-dinitro-4-pyridinyl)-, monoethyl ester
CAS Number:
89257-82-9
Molecular Formula:
C9H11N3O7P-
Molecular Weight:
304.1733
IUPAC Name:
(2,6-dimethyl-3,5-dinitropyridin-4-yl)-ethoxyphosphinate
InChI:
InChI=1S/C9H12N3O7P/c1-4-19-20(17,18)9-7(11(13)14)5(2)10-6(3)8(9)12(15)16/h4H2,1-3H3,(H,17,18)/p-1
InChI Key:
LZKROZHCRDNESG-UHFFFAOYSA-M
SMILES:
CCOP(=O)(c1c([N+](=O)[O-])c(C)nc(c1[N+](=O)[O-])C)[O-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.033g/mol
Formal Charge:
-1
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.175g/mol
Monoisotopic Mass:
304.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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