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91657-27-1 | Benzoxazole, 2-(1-phenylethyl)-
CAS No: 91657-27-1 Catalog No: AG006F6N MDL No:
Product Description
Catalog Number:
AG006F6N
Chemical Name:
Benzoxazole, 2-(1-phenylethyl)-
CAS Number:
91657-27-1
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
2-(1-phenylethyl)-1,3-benzoxazole
InChI:
InChI=1S/C15H13NO/c1-11(12-7-3-2-4-8-12)15-16-13-9-5-6-10-14(13)17-15/h2-11H,1H3
InChI Key:
MJAGVHNDLLPBDC-UHFFFAOYSA-N
SMILES:
CC(c1nc2c(o1)cccc2)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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