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Home > Nitro Compounds > 70310-22-4
70310-22-4 | Ethanone, 2-(4-methyl-2-nitrophenoxy)-1-phenyl-
CAS No: 70310-22-4 Catalog No: AG005JVZ MDL No:
Product Description
Catalog Number:
AG005JVZ
Chemical Name:
Ethanone, 2-(4-methyl-2-nitrophenoxy)-1-phenyl-
CAS Number:
70310-22-4
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
2-(4-methyl-2-nitrophenoxy)-1-phenylethanone
InChI:
InChI=1S/C15H13NO4/c1-11-7-8-15(13(9-11)16(18)19)20-10-14(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChI Key:
SMKOWWKZBWMFOU-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])OCC(=O)c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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