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89307-38-0 | Oxazole, 2-[4-[2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]phenyl]-
CAS No: 89307-38-0 Catalog No: AG003YMR MDL No:
Product Description
Catalog Number:
AG003YMR
Chemical Name:
Oxazole, 2-[4-[2-(1-methyl-5-nitro-1H-imidazol-2-yl)ethenyl]phenyl]-
CAS Number:
89307-38-0
Molecular Formula:
C15H12N4O3
Molecular Weight:
296.2808
IUPAC Name:
2-[4-[2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]phenyl]-1,3-oxazole
InChI:
InChI=1S/C15H12N4O3/c1-18-13(17-10-14(18)19(20)21)7-4-11-2-5-12(6-3-11)15-16-8-9-22-15/h2-10H,1H3
InChI Key:
OONXMBOKRLQGLT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C)C=Cc1ccc(cc1)c1ncco1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.286g/mol
Monoisotopic Mass:
296.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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