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Home > Nitro Compounds > 1754-42-3
1754-42-3 | Phosphonic acid, P-(4-nitrophenyl)-, diethyl ester
CAS No: 1754-42-3 Catalog No: AG0020YU MDL No:
Product Description
Catalog Number:
AG0020YU
Chemical Name:
Phosphonic acid, P-(4-nitrophenyl)-, diethyl ester
CAS Number:
1754-42-3
Molecular Formula:
C10H14NO5P
Molecular Weight:
259.1956
IUPAC Name:
1-diethoxyphosphoryl-4-nitrobenzene
InChI:
InChI=1S/C10H14NO5P/c1-3-15-17(14,16-4-2)10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
InChI Key:
AWAKGNAIMIGBNG-UHFFFAOYSA-N
SMILES:
CCOP(=O)(c1ccc(cc1)[N+](=O)[O-])OCC
NSC Number:
141176
Properties
Complexity:
286
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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