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100476-56-0

100476-56-0 | Benzoxazole, 2-[4-(2-propen-1-yloxy)phenyl]-

CAS No: 100476-56-0 Catalog No: AG000220 MDL No:

Product Description

Catalog Number:
AG000220
Chemical Name:
Benzoxazole, 2-[4-(2-propen-1-yloxy)phenyl]-
CAS Number:
100476-56-0
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
2-(4-prop-2-enoxyphenyl)-1,3-benzoxazole
InChI:
InChI=1S/C16H13NO2/c1-2-11-18-13-9-7-12(8-10-13)16-17-14-5-3-4-6-15(14)19-16/h2-10H,1,11H2
InChI Key:
WKEPDKKFBJHBLI-UHFFFAOYSA-N
SMILES:
C=CCOc1ccc(cc1)c1nc2c(o1)cccc2

Properties

Complexity:
299  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

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