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66910-82-5 | Benzoxazole, 2-(2-phenylethoxy)-
CAS No: 66910-82-5 Catalog No: AG006PU8 MDL No:
Product Description
Catalog Number:
AG006PU8
Chemical Name:
Benzoxazole, 2-(2-phenylethoxy)-
CAS Number:
66910-82-5
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
2-(2-phenylethoxy)-1,3-benzoxazole
InChI:
InChI=1S/C15H13NO2/c1-2-6-12(7-3-1)10-11-17-15-16-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2
InChI Key:
XTHFMPNFHXEUMI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCOc1nc2c(o1)cccc2
Properties
Complexity:
253
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:
4
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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