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Home > Nitro Compounds > 98769-70-1
98769-70-1 | (2RS,3RS)-3-(2-Ethoxyphenoxy)-2-hydroxy-1-(4-nitrobenzoyloxy)-3-phenylpropane
CAS No: 98769-70-1 Catalog No: AG005TZH MDL No:
Product Description
Catalog Number:
AG005TZH
Chemical Name:
(2RS,3RS)-3-(2-Ethoxyphenoxy)-2-hydroxy-1-(4-nitrobenzoyloxy)-3-phenylpropane
CAS Number:
98769-70-1
Molecular Formula:
C24H23NO7
Molecular Weight:
437.4419
IUPAC Name:
[3-(2-ethoxyphenoxy)-2-hydroxy-3-phenylpropyl] 4-nitrobenzoate
InChI:
InChI=1S/C24H23NO7/c1-2-30-21-10-6-7-11-22(21)32-23(17-8-4-3-5-9-17)20(26)16-31-24(27)18-12-14-19(15-13-18)25(28)29/h3-15,20,23,26H,2,16H2,1H3
InChI Key:
WDILXXVWAWRMBW-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1O[C@@H](c1ccccc1)C(COC(=O)c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.147g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
437.448g/mol
Monoisotopic Mass:
437.147g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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