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Home > Nitro Compounds > 56804-93-4
56804-93-4 | α-[3-(4-Nitrophenyl)-5-phenyl-2-isoxazolin-5-yl]acetophenone
CAS No: 56804-93-4 Catalog No: AG00F0JC MDL No:
Product Description
Catalog Number:
AG00F0JC
Chemical Name:
α-[3-(4-Nitrophenyl)-5-phenyl-2-isoxazolin-5-yl]acetophenone
CAS Number:
56804-93-4
IUPAC Name:
2-[3-(4-nitrophenyl)-5-phenyl-4H-1,2-oxazol-5-yl]-1-phenylethanone
InChI:
InChI=1S/C23H18N2O4/c26-22(18-7-3-1-4-8-18)16-23(19-9-5-2-6-10-19)15-21(24-29-23)17-11-13-20(14-12-17)25(27)28/h1-14H,15-16H2
InChI Key:
FNPXZMSRHXZLHG-UHFFFAOYSA-N
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.127g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.407g/mol
Monoisotopic Mass:
386.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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