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165609-21-2 | Methanone, bis(2-benzoxazolyl)-
CAS No: 165609-21-2 Catalog No: AG001W86 MDL No:
Product Description
Catalog Number:
AG001W86
Chemical Name:
Methanone, bis(2-benzoxazolyl)-
CAS Number:
165609-21-2
Molecular Formula:
C15H8N2O3
Molecular Weight:
264.2356
IUPAC Name:
bis(1,3-benzoxazol-2-yl)methanone
InChI:
InChI=1S/C15H8N2O3/c18-13(14-16-9-5-1-3-7-11(9)19-14)15-17-10-6-2-4-8-12(10)20-15/h1-8H
InChI Key:
VUQQZHHNYHSJJB-UHFFFAOYSA-N
SMILES:
O=C(c1nc2c(o1)cccc2)c1nc2c(o1)cccc2
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.24g/mol
Monoisotopic Mass:
264.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Regioselectivity in the addition of vinylmagnesium bromide to heteroarylic ketones: C- versus O-alkylation. | The Journal of organic chemistry 20041210 |
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