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89114-26-1 | Benzoxazole, 2-(1-phenylethoxy)-
CAS No: 89114-26-1 Catalog No: AG003ZIY MDL No:
Product Description
Catalog Number:
AG003ZIY
Chemical Name:
Benzoxazole, 2-(1-phenylethoxy)-
CAS Number:
89114-26-1
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
2-(1-phenylethoxy)-1,3-benzoxazole
InChI:
InChI=1S/C15H13NO2/c1-11(12-7-3-2-4-8-12)17-15-16-13-9-5-6-10-14(13)18-15/h2-11H,1H3
InChI Key:
TXWMDTSXRBOJCO-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)Oc1nc2c(o1)cccc2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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