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178818-92-3 | Acetic acid, 2-(diphenylphosphinyl)-, 4-nitrophenyl ester
CAS No: 178818-92-3 Catalog No: AG0026EB MDL No:
Product Description
Catalog Number:
AG0026EB
Chemical Name:
Acetic acid, 2-(diphenylphosphinyl)-, 4-nitrophenyl ester
CAS Number:
178818-92-3
Molecular Formula:
C20H16NO5P
Molecular Weight:
381.3185
IUPAC Name:
(4-nitrophenyl) 2-diphenylphosphorylacetate
InChI:
InChI=1S/C20H16NO5P/c22-20(26-17-13-11-16(12-14-17)21(23)24)15-27(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2
InChI Key:
BJMVSQFFYIURNV-UHFFFAOYSA-N
SMILES:
O=C(CP(=O)(c1ccccc1)c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.077g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.324g/mol
Monoisotopic Mass:
381.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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