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83318-25-6 | 2-(2-phenylethyl)-1,3-benzoxazole
CAS No: 83318-25-6 Catalog No: AG004T0L MDL No:
Product Description
Catalog Number:
AG004T0L
Chemical Name:
2-(2-phenylethyl)-1,3-benzoxazole
CAS Number:
83318-25-6
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
IUPAC Name:
2-(2-phenylethyl)-1,3-benzoxazole
InChI:
InChI=1S/C15H13NO/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2
InChI Key:
OVIWOLXACFGATB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCc1nc2c(o1)cccc2
NSC Number:
155607
Properties
Complexity:
237
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:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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