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Home > Nitro Compounds > 27730-03-6
27730-03-6 | Methanone, [(2R,3S)-3-(4-nitrophenyl)-2-oxiranyl]phenyl-, rel-
CAS No: 27730-03-6 Catalog No: AG002ULM MDL No:
Product Description
Catalog Number:
AG002ULM
Chemical Name:
Methanone, [(2R,3S)-3-(4-nitrophenyl)-2-oxiranyl]phenyl-, rel-
CAS Number:
27730-03-6
Molecular Formula:
C15H11NO4
Molecular Weight:
269.2521
IUPAC Name:
[3-(4-nitrophenyl)oxiran-2-yl]-phenylmethanone
InChI:
InChI=1S/C15H11NO4/c17-13(10-4-2-1-3-5-10)15-14(20-15)11-6-8-12(9-7-11)16(18)19/h1-9,14-15H
InChI Key:
QGQILXBVXCHHOM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.256g/mol
Monoisotopic Mass:
269.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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