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89114-16-9

89114-16-9 | Benzoxazole, 2-(phenylmethoxy)-

CAS No: 89114-16-9 Catalog No: AG003ZR2 MDL No:

Product Description

Catalog Number:
AG003ZR2
Chemical Name:
Benzoxazole, 2-(phenylmethoxy)-
CAS Number:
89114-16-9
Molecular Formula:
C14H11NO2
Molecular Weight:
225.2426
IUPAC Name:
2-phenylmethoxy-1,3-benzoxazole
InChI:
InChI=1S/C14H11NO2/c1-2-6-11(7-3-1)10-16-14-15-12-8-4-5-9-13(12)17-14/h1-9H,10H2
InChI Key:
ULPQFXOVPALHSY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1nc2c(o1)cccc2

Properties

Complexity:
240  
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:
3  
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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