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Home > Nitro Compounds > 14143-13-6
14143-13-6 | Phosphoric acid, diethyl 3-ethyl-4-nitrophenyl ester (8CI)
CAS No: 14143-13-6 Catalog No: AG001GDI MDL No:
Product Description
Catalog Number:
AG001GDI
Chemical Name:
Phosphoric acid, diethyl 3-ethyl-4-nitrophenyl ester (8CI)
CAS Number:
14143-13-6
Molecular Formula:
C12H18NO6P
Molecular Weight:
303.2482
IUPAC Name:
diethyl (3-ethyl-4-nitrophenyl) phosphate
InChI:
InChI=1S/C12H18NO6P/c1-4-10-9-11(7-8-12(10)13(14)15)19-20(16,17-5-2)18-6-3/h7-9H,4-6H2,1-3H3
InChI Key:
IMPRGJFTSVZFMH-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Oc1ccc(c(c1)CC)[N+](=O)[O-])OCC
NSC Number:
132985
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.251g/mol
Monoisotopic Mass:
303.087g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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