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Home > Nitro Compounds > 89807-62-5
89807-62-5 | Ethanone, 2-(3-methylphenoxy)-1-(3-nitrophenyl)-
CAS No: 89807-62-5 Catalog No: AG003Y6N MDL No:
Product Description
Catalog Number:
AG003Y6N
Chemical Name:
Ethanone, 2-(3-methylphenoxy)-1-(3-nitrophenyl)-
CAS Number:
89807-62-5
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
2-(3-methylphenoxy)-1-(3-nitrophenyl)ethanone
InChI:
InChI=1S/C15H13NO4/c1-11-4-2-7-14(8-11)20-10-15(17)12-5-3-6-13(9-12)16(18)19/h2-9H,10H2,1H3
InChI Key:
VXVBXVLPVWTQMD-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)OCC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
352
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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