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Home > Nitro Compounds > 14985-27-4
14985-27-4 | Oxirane, 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (2R,3R)-rel-
CAS No: 14985-27-4 Catalog No: AG001M1V MDL No:
Product Description
Catalog Number:
AG001M1V
Chemical Name:
Oxirane, 2-(4-methoxyphenyl)-3-(4-nitrophenyl)-, (2R,3R)-rel-
CAS Number:
14985-27-4
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
(2S,3S)-2-(4-methoxyphenyl)-3-(4-nitrophenyl)oxirane
InChI:
InChI=1S/C15H13NO4/c1-19-13-8-4-11(5-9-13)15-14(20-15)10-2-6-12(7-3-10)16(17)18/h2-9,14-15H,1H3/t14-,15-/m0/s1
InChI Key:
CTPLJPLKYKCNAY-GJZGRUSLSA-N
SMILES:
COc1ccc(cc1)[C@H]1O[C@@H]1c1ccc(cc1)[N+](=O)[O-]
NSC Number:
66819
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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