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3315-20-6

3315-20-6 | 2-(1,3-Benzodioxole-5-yl)benzoxazole

CAS No: 3315-20-6 Catalog No: AG00CPNY MDL No:

Product Description

Catalog Number:
AG00CPNY
Chemical Name:
2-(1,3-Benzodioxole-5-yl)benzoxazole
CAS Number:
3315-20-6
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-1,3-benzoxazole
InChI:
InChI=1S/C14H9NO3/c1-2-4-11-10(3-1)15-14(18-11)9-5-6-12-13(7-9)17-8-16-12/h1-7H,8H2
InChI Key:
QFNIMVUSMZPOPX-UHFFFAOYSA-N
NSC Number:
127059

Properties

Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.058g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.23g/mol
Monoisotopic Mass:
239.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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