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13459-17-1 | Benzoxazole, 2-(2-methoxyphenyl)-
CAS No: 13459-17-1 Catalog No: AG0070CT MDL No:
Product Description
Catalog Number:
AG0070CT
Chemical Name:
Benzoxazole, 2-(2-methoxyphenyl)-
CAS Number:
13459-17-1
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
IUPAC Name:
2-(2-methoxyphenyl)-1,3-benzoxazole
InChI:
InChI=1S/C14H11NO2/c1-16-12-8-4-2-6-10(12)14-15-11-7-3-5-9-13(11)17-14/h2-9H,1H3
InChI Key:
KWOXDLBKAWFYOJ-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1nc2c(o1)cccc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.247g/mol
Monoisotopic Mass:
225.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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