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Home > Nitro Compounds > 104097-04-3
104097-04-3 | Diethyl 3-Nitrobenzylphosphonate
CAS No: 104097-04-3 Catalog No: AG003PFS MDL No:MFCD22574984
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
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