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Home > Nitro Compounds > 27547-04-2
27547-04-2 | Methanone, (4-methylphenyl)[3-(4-nitrophenyl)-2-oxiranyl]-
CAS No: 27547-04-2 Catalog No: AG002U1F MDL No:
Product Description
Catalog Number:
AG002U1F
Chemical Name:
Methanone, (4-methylphenyl)[3-(4-nitrophenyl)-2-oxiranyl]-
CAS Number:
27547-04-2
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
IUPAC Name:
(4-methylphenyl)-[3-(4-nitrophenyl)oxiran-2-yl]methanone
InChI:
InChI=1S/C16H13NO4/c1-10-2-4-11(5-3-10)14(18)16-15(21-16)12-6-8-13(9-7-12)17(19)20/h2-9,15-16H,1H3
InChI Key:
ZZCITOUQJFLYAN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)C1OC1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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