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Home > Nitro Compounds > 117321-83-2
117321-83-2 | Methanone, (4-methoxyphenyl)(2-methyl-3-nitrophenyl)-
CAS No: 117321-83-2 Catalog No: AG000E46 MDL No:
Product Description
Catalog Number:
AG000E46
Chemical Name:
Methanone, (4-methoxyphenyl)(2-methyl-3-nitrophenyl)-
CAS Number:
117321-83-2
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
(4-methoxyphenyl)-(2-methyl-3-nitrophenyl)methanone
InChI:
InChI=1S/C15H13NO4/c1-10-13(4-3-5-14(10)16(18)19)15(17)11-6-8-12(20-2)9-7-11/h3-9H,1-2H3
InChI Key:
IUADXNRMOSCIKS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1cccc(c1C)[N+](=O)[O-]
Properties
Complexity:
357
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:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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