Home Nitros Diethyl 3-nitrobenzylphosphonate

Diethyl 3-nitrobenzylphosphonate

CAS No.:
104097-04-3
Catalog Number:
AG003PFS
Molecular Formula:
C11H16NO5P
Molecular Weight:
273.2222
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Purity
Availability
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Quantity
  
1g
>95%
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United States
$228
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Product Description
Catalog Number:
AG003PFS
Chemical Name:
Diethyl 3-nitrobenzylphosphonate
CAS Number:
104097-04-3
Molecular Formula:
C11H16NO5P
Molecular Weight:
273.2222
MDL Number:
MFCD22574984
IUPAC Name:
1-(diethoxyphosphorylmethyl)-3-nitrobenzene
InChI:
InChI=1S/C11H16NO5P/c1-3-16-18(15,17-4-2)9-10-6-5-7-11(8-10)12(13)14/h5-8H,3-4,9H2,1-2H3
InChI Key:
QNHAEKQJZUMZFT-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Cc1cccc(c1)[N+](=O)[O-])OCC
Properties
Complexity:
307  
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  
Properties