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Home > Nitro Compounds > 7152-68-3
7152-68-3 | 2-Benzoyl-3-(2-nitrophenyl)oxirane
CAS No: 7152-68-3 Catalog No: AG00FJYD MDL No:MFCD01695208
Product Description
Catalog Number:
AG00FJYD
Chemical Name:
2-Benzoyl-3-(2-nitrophenyl)oxirane
CAS Number:
7152-68-3
Molecular Formula:
C15H11NO4
Molecular Weight:
269.2521
MDL Number:
MFCD01695208
IUPAC Name:
[3-(2-nitrophenyl)oxiran-2-yl]-phenylmethanone
InChI:
InChI=1S/C15H11NO4/c17-13(10-6-2-1-3-7-10)15-14(20-15)11-8-4-5-9-12(11)16(18)19/h1-9,14-15H
InChI Key:
YYDCQFLIOWAXNZ-UHFFFAOYSA-N
SMILES:
O=C(C1OC1c1ccccc1[N+](=O)[O-])c1ccccc1
Properties
Complexity:
386
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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