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Home > Nitro Compounds > 13294-40-1
13294-40-1 | Phosphonic acid, P-(2-nitrophenyl)-, diethyl ester
CAS No: 13294-40-1 Catalog No: AG0011FO MDL No:
Product Description
Catalog Number:
AG0011FO
Chemical Name:
Phosphonic acid, P-(2-nitrophenyl)-, diethyl ester
CAS Number:
13294-40-1
Molecular Formula:
C10H14NO5P
Molecular Weight:
259.1956
IUPAC Name:
1-diethoxyphosphoryl-2-nitrobenzene
InChI:
InChI=1S/C10H14NO5P/c1-3-15-17(14,16-4-2)10-8-6-5-7-9(10)11(12)13/h5-8H,3-4H2,1-2H3
InChI Key:
AYSAUUWVVFICJE-UHFFFAOYSA-N
SMILES:
CCOP(=O)(c1ccccc1[N+](=O)[O-])OCC
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.198g/mol
Monoisotopic Mass:
259.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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