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Home > Imidazoles > 90330-21-5
90330-21-5 | 5(4H)-Oxazolone, 4-[(2-methyl-1H-imidazol-1-yl)methylene]-2-phenyl-
CAS No: 90330-21-5 Catalog No: AG006RQ0 MDL No:
Product Description
Catalog Number:
AG006RQ0
Chemical Name:
5(4H)-Oxazolone, 4-[(2-methyl-1H-imidazol-1-yl)methylene]-2-phenyl-
CAS Number:
90330-21-5
Molecular Formula:
C14H11N3O2
Molecular Weight:
253.2560
IUPAC Name:
4-[(2-methylimidazol-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C14H11N3O2/c1-10-15-7-8-17(10)9-12-14(18)19-13(16-12)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
QVMBNXMWWZKEMG-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=Cn1ccnc1C)c1ccccc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.261g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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