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Home > Nitro Compounds > 2609-49-6
2609-49-6 | Phosphonic acid, P-[(4-nitrophenyl)methyl]-, diethyl ester
CAS No: 2609-49-6 Catalog No: AG002RMP MDL No:MFCD00047747
Product Description
Catalog Number:
AG002RMP
Chemical Name:
Phosphonic acid, P-[(4-nitrophenyl)methyl]-, diethyl ester
CAS Number:
2609-49-6
Molecular Formula:
C11H16NO5P
Molecular Weight:
273.2222
MDL Number:
MFCD00047747
IUPAC Name:
1-(diethoxyphosphorylmethyl)-4-nitrobenzene
InChI:
InChI=1S/C11H16NO5P/c1-3-16-18(15,17-4-2)9-10-5-7-11(8-6-10)12(13)14/h5-8H,3-4,9H2,1-2H3
InChI Key:
FORMFFDDQMCTCT-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1ccc(cc1)[N+](=O)[O-])OCC
NSC Number:
82303
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.225g/mol
Monoisotopic Mass:
273.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Characterization of recognition sites for diethyl 4-nitrobenzylphosphonate, an organophosphate pesticide analogue. | Analytica chimica acta 20080428 |
| 11C-labeled stilbene derivatives as Abeta-aggregate-specific PET imaging agents for Alzheimer's disease. | Nuclear medicine and biology 20030801 |
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