Home Other Building Blocks 4-Bromo-2-(trifluoromethoxy)phenyl isothiocyanate

4-Bromo-2-(trifluoromethoxy)phenyl isothiocyanate

CAS No.:
238742-91-1
Catalog Number:
AG00BD88
Molecular Formula:
C8H3BrF3NOS
Molecular Weight:
298.0797
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$40
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Product Description
Catalog Number:
AG00BD88
Chemical Name:
4-Bromo-2-(trifluoromethoxy)phenyl isothiocyanate
CAS Number:
238742-91-1
Molecular Formula:
C8H3BrF3NOS
Molecular Weight:
298.0797
MDL Number:
MFCD00832693
IUPAC Name:
4-bromo-1-isothiocyanato-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H3BrF3NOS/c9-5-1-2-6(13-4-15)7(3-5)14-8(10,11)12/h1-3H
InChI Key:
VXHDHMUZXWITDG-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1OC(F)(F)F)Br
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.907g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.077g/mol
Monoisotopic Mass:
296.907g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties