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Home > Nitro Compounds > 86761-17-3
86761-17-3 | Ethanone, 1-(4-methoxyphenyl)-2-(nitrooxy)-2-phenyl-
CAS No: 86761-17-3 Catalog No: AG004SBX MDL No:
Product Description
Catalog Number:
AG004SBX
Chemical Name:
Ethanone, 1-(4-methoxyphenyl)-2-(nitrooxy)-2-phenyl-
CAS Number:
86761-17-3
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
IUPAC Name:
[2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] nitrate
InChI:
InChI=1S/C15H13NO5/c1-20-13-9-7-11(8-10-13)14(17)15(21-16(18)19)12-5-3-2-4-6-12/h2-10,15H,1H3
InChI Key:
JQAXDKDZTOHNME-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C(c1ccccc1)O[N+](=O)[O-]
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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