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Home > Nitro Compounds > 87750-71-8
87750-71-8 | Phosphonic acid, [(1E)-2-(4-nitrophenyl)ethenyl]-, diethyl ester
CAS No: 87750-71-8 Catalog No: AG004FLU MDL No:
Product Description
Catalog Number:
AG004FLU
Chemical Name:
Phosphonic acid, [(1E)-2-(4-nitrophenyl)ethenyl]-, diethyl ester
CAS Number:
87750-71-8
Molecular Formula:
C12H16NO5P
Molecular Weight:
285.2329
IUPAC Name:
1-(2-diethoxyphosphorylethenyl)-4-nitrobenzene
InChI:
InChI=1S/C12H16NO5P/c1-3-17-19(16,18-4-2)10-9-11-5-7-12(8-6-11)13(14)15/h5-10H,3-4H2,1-2H3
InChI Key:
DAENJGZHSJAQRL-UHFFFAOYSA-N
SMILES:
CCOP(=O)(/C=C/c1ccc(cc1)[N+](=O)[O-])OCC
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.236g/mol
Monoisotopic Mass:
285.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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