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Home > Nitro Compounds > 122773-51-7
122773-51-7 | 2-Propen-1-one, 3-(5-methoxy-3-phenyl-4-isoxazolyl)-1-(3-nitrophenyl)-
CAS No: 122773-51-7 Catalog No: AG000JG9 MDL No:
Product Description
Catalog Number:
AG000JG9
Chemical Name:
2-Propen-1-one, 3-(5-methoxy-3-phenyl-4-isoxazolyl)-1-(3-nitrophenyl)-
CAS Number:
122773-51-7
Molecular Formula:
C19H14N2O5
Molecular Weight:
350.3249
IUPAC Name:
3-(5-methoxy-3-phenyl-1,2-oxazol-4-yl)-1-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C19H14N2O5/c1-25-19-16(18(20-26-19)13-6-3-2-4-7-13)10-11-17(22)14-8-5-9-15(12-14)21(23)24/h2-12H,1H3
InChI Key:
VPQUXBXZCNIHRQ-UHFFFAOYSA-N
SMILES:
COc1onc(c1C=CC(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.09g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.33g/mol
Monoisotopic Mass:
350.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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