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Home Halogens 4-Bromobenzotrifluoride

4-Bromobenzotrifluoride

CAS No.:
402-43-7
Catalog Number:
AG0033Y8
Molecular Formula:
C7H4BrF3
Molecular Weight:
225.0059
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG0033Y8
Chemical Name:
4-Bromobenzotrifluoride
CAS Number:
402-43-7
Molecular Formula:
C7H4BrF3
Molecular Weight:
225.0059
MDL Number:
MFCD00000398
IUPAC Name:
1-bromo-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChI Key:
XLQSXGGDTHANLN-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)Br)(F)F
EC Number:
206-943-6
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.945g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.008g/mol
Monoisotopic Mass:
223.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Palladium-tetraphosphine complex: an efficient catalyst for the coupling of aryl halides with alkynes. Organic & biomolecular chemistry 20030707
Properties