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Home > Nitro Compounds > 79054-53-8
79054-53-8 | Phosphonic acid, [(4-nitrophenyl)acetyl]-, diethyl ester
CAS No: 79054-53-8 Catalog No: AG0053XI MDL No:
Product Description
Catalog Number:
AG0053XI
Chemical Name:
Phosphonic acid, [(4-nitrophenyl)acetyl]-, diethyl ester
CAS Number:
79054-53-8
Molecular Formula:
C12H16NO6P
Molecular Weight:
301.2323
IUPAC Name:
1-diethoxyphosphoryl-2-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C12H16NO6P/c1-3-18-20(17,19-4-2)12(14)9-10-5-7-11(8-6-10)13(15)16/h5-8H,3-4,9H2,1-2H3
InChI Key:
STDLILXHDCLETD-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(=O)Cc1ccc(cc1)[N+](=O)[O-])OCC
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.235g/mol
Monoisotopic Mass:
301.072g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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