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89389-98-0 | 5(4H)-Oxazolone, 4-[(5-bromo-2-furanyl)methylene]-2-phenyl-
CAS No: 89389-98-0 Catalog No: AG003WKG MDL No:
Product Description
Catalog Number:
AG003WKG
Chemical Name:
5(4H)-Oxazolone, 4-[(5-bromo-2-furanyl)methylene]-2-phenyl-
CAS Number:
89389-98-0
Molecular Formula:
C14H8BrNO3
Molecular Weight:
318.1222
IUPAC Name:
4-[(5-bromofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C14H8BrNO3/c15-12-7-6-10(18-12)8-11-14(17)19-13(16-11)9-4-2-1-3-5-9/h1-8H
InChI Key:
IRUDPSJSHUFUIY-UHFFFAOYSA-N
SMILES:
Brc1ccc(o1)C=C1N=C(OC1=O)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.969g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.126g/mol
Monoisotopic Mass:
316.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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