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825633-24-7 | Ethanone, 1-[4-[(3-benzoyl-4-isoxazolyl)carbonyl]phenyl]-
CAS No: 825633-24-7 Catalog No: AG004Y5N MDL No:
Product Description
Catalog Number:
AG004Y5N
Chemical Name:
Ethanone, 1-[4-[(3-benzoyl-4-isoxazolyl)carbonyl]phenyl]-
CAS Number:
825633-24-7
Molecular Formula:
C19H13NO4
Molecular Weight:
319.3108
IUPAC Name:
1-[4-(3-benzoyl-1,2-oxazole-4-carbonyl)phenyl]ethanone
InChI:
InChI=1S/C19H13NO4/c1-12(21)13-7-9-15(10-8-13)18(22)16-11-24-20-17(16)19(23)14-5-3-2-4-6-14/h2-11H,1H3
InChI Key:
KPMUNZIOJRIVPB-UHFFFAOYSA-N
SMILES:
O=C(c1conc1C(=O)c1ccccc1)c1ccc(cc1)C(=O)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.316g/mol
Monoisotopic Mass:
319.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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