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191476-76-3 | Phosphonic acid, P-[(1Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-, diethyl ester
CAS No: 191476-76-3 Catalog No: AG002F9G MDL No:
Product Description
Catalog Number:
AG002F9G
Chemical Name:
Phosphonic acid, P-[(1Z)-1-chloro-2-(4-nitrophenyl)ethenyl]-, diethyl ester
CAS Number:
191476-76-3
Molecular Formula:
C12H15ClNO5P
Molecular Weight:
319.6780
IUPAC Name:
1-(2-chloro-2-diethoxyphosphorylethenyl)-4-nitrobenzene
InChI:
InChI=1S/C12H15ClNO5P/c1-3-18-20(17,19-4-2)12(13)9-10-5-7-11(8-6-10)14(15)16/h5-9H,3-4H2,1-2H3
InChI Key:
HGLCBURWQCCKFT-UHFFFAOYSA-N
SMILES:
CCOP(=O)(/C(=C/c1ccc(cc1)[N+](=O)[O-])/Cl)OCC
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.038g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.678g/mol
Monoisotopic Mass:
319.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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