Home Halogens 1,2-Benzisoxazole, 5-bromo-3-(trifluoromethyl)-

1,2-Benzisoxazole, 5-bromo-3-(trifluoromethyl)-

CAS No.:
1260790-58-6
Catalog Number:
AG000RA7
Molecular Formula:
C8H3BrF3NO
Molecular Weight:
266.0147
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Product Description
Catalog Number:
AG000RA7
Chemical Name:
1,2-Benzisoxazole, 5-bromo-3-(trifluoromethyl)-
CAS Number:
1260790-58-6
Molecular Formula:
C8H3BrF3NO
Molecular Weight:
266.0147
MDL Number:
MFCD15526913
IUPAC Name:
5-bromo-3-(trifluoromethyl)-1,2-benzoxazole
InChI:
InChI=1S/C8H3BrF3NO/c9-4-1-2-6-5(3-4)7(13-14-6)8(10,11)12/h1-3H
InChI Key:
XCFRAFMNVAYGDH-UHFFFAOYSA-N
SMILES:
FC(c1noc2c1cc(Br)cc2)(F)F
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.935g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.017g/mol
Monoisotopic Mass:
264.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties