Home Other Building Blocks 2-(Trifluoromethyl)benzo[d]oxazole

2-(Trifluoromethyl)benzo[d]oxazole

CAS No.:
2008-04-0
Catalog Number:
AG002D18
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
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Product Description
Catalog Number:
AG002D18
Chemical Name:
2-(Trifluoromethyl)benzo[d]oxazole
CAS Number:
2008-04-0
Molecular Formula:
C8H4F3NO
Molecular Weight:
187.1187
MDL Number:
MFCD00480774
IUPAC Name:
2-(trifluoromethyl)-1,3-benzoxazole
InChI:
InChI=1S/C8H4F3NO/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H
InChI Key:
PXCLUIRANQLJTI-UHFFFAOYSA-N
SMILES:
FC(c1nc2c(o1)cccc2)(F)F
Properties
Complexity:
194  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.121g/mol
Monoisotopic Mass:
187.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties