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Home > Nitro Compounds > 89822-74-2
89822-74-2 | Phosphonic acid, [(2,6-dinitrophenyl)methyl]-, diethyl ester
CAS No: 89822-74-2 Catalog No: AG003XMT MDL No:
Product Description
Catalog Number:
AG003XMT
Chemical Name:
Phosphonic acid, [(2,6-dinitrophenyl)methyl]-, diethyl ester
CAS Number:
89822-74-2
Molecular Formula:
C11H15N2O7P
Molecular Weight:
318.2198
IUPAC Name:
2-(diethoxyphosphorylmethyl)-1,3-dinitrobenzene
InChI:
InChI=1S/C11H15N2O7P/c1-3-19-21(18,20-4-2)8-9-10(12(14)15)6-5-7-11(9)13(16)17/h5-7H,3-4,8H2,1-2H3
InChI Key:
GVJBDEIZPFPETL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-])OCC
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.222g/mol
Monoisotopic Mass:
318.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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