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89277-80-5 | Phosphoric acid, 2-(acetylamino)phenyl diethyl ester
CAS No: 89277-80-5 Catalog No: AG0040RJ MDL No:
Product Description
Catalog Number:
AG0040RJ
Chemical Name:
Phosphoric acid, 2-(acetylamino)phenyl diethyl ester
CAS Number:
89277-80-5
Molecular Formula:
C12H18NO5P
Molecular Weight:
287.2488
IUPAC Name:
(2-acetamidophenyl) diethyl phosphate
InChI:
InChI=1S/C12H18NO5P/c1-4-16-19(15,17-5-2)18-12-9-7-6-8-11(12)13-10(3)14/h6-9H,4-5H2,1-3H3,(H,13,14)
InChI Key:
YCSXTUYFFGAKME-UHFFFAOYSA-N
SMILES:
CCOP(=O)(Oc1ccccc1NC(=O)C)OCC
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.252g/mol
Monoisotopic Mass:
287.092g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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