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81759-34-4 | Benzoxazole, 2-ethoxy-
CAS No: 81759-34-4 Catalog No: AG005I2N MDL No:
Product Description
Catalog Number:
AG005I2N
Chemical Name:
Benzoxazole, 2-ethoxy-
CAS Number:
81759-34-4
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
IUPAC Name:
2-ethoxy-1,3-benzoxazole
InChI:
InChI=1S/C9H9NO2/c1-2-11-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3
InChI Key:
GYBFWKLMUUAXGY-UHFFFAOYSA-N
SMILES:
CCOc1nc2c(o1)cccc2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| 2-Ethoxybenzoxazole as a bioisosteric replacement of an ethyl benzoate group in a human rhinovirus (HRV) capsid binder. | Bioorganic & medicinal chemistry letters 20050415 |
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