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Home > Imidazoles > 90330-20-4
90330-20-4 | 5(4H)-Oxazolone, 4-(1H-imidazol-1-ylmethylene)-2-phenyl-
CAS No: 90330-20-4 Catalog No: AG006RQ1 MDL No:
Product Description
Catalog Number:
AG006RQ1
Chemical Name:
5(4H)-Oxazolone, 4-(1H-imidazol-1-ylmethylene)-2-phenyl-
CAS Number:
90330-20-4
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
IUPAC Name:
4-(imidazol-1-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C13H9N3O2/c17-13-11(8-16-7-6-14-9-16)15-12(18-13)10-4-2-1-3-5-10/h1-9H
InChI Key:
YIMKHOBAABTWAD-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=Cn1cncc1)c1ccccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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