Home Bromides 163975-05-1
163975-05-1,MFCD10697864
Catalog No.:AA001UH5
163975-05-1 | 1-Bromo-3-(2,2,2-trifluoroethyl)benzene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$62.00   $44.00
- +
1g
98%
in stock  
$94.00   $66.00
- +
5g
98%
in stock  
$316.00   $222.00
- +
25g
98%
in stock  
$1,221.00   $855.00
- +
100g
98%
in stock  
$3,975.00   $2,783.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA001UH5
Chemical Name:
1-Bromo-3-(2,2,2-trifluoroethyl)benzene
CAS Number:
163975-05-1
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
MDL Number:
MFCD10697864
IUPAC Name:
1-bromo-3-(2,2,2-trifluoroethyl)benzene
InChI:
InChI=1S/C8H6BrF3/c9-7-3-1-2-6(4-7)5-8(10,11)12/h1-4H,5H2
InChI Key:
CQVBJYBIGXUWPB-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CC(F)(F)F
Properties
Computed Properties
 
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.96g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.035g/mol
Monoisotopic Mass:
237.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  

Synonyms
 
1-bromo-3-(2,2,2-trifluoroethyl)benzene 
163975-05-1 
STL554635 
ZINC63361011 
AKOS005255666 
AB60687 
FS-5434 
RTR-035859 
3-(2,2,2-Trifluoroethyl)phenyl bromide 
AJ-114378 
TR-035859 
FT-0678652 
1-Bromo-3-(2,2,2-trifluoroethyl)-benzene 
Benzene, 1-bromo-3-(2,2,2-trifluoroethyl)- 
X-4563 
I01-12894 
Z1741968056 
C8H6BrF3 
CID11390787 
SCHEMBL15476972 
CTK4D1698 
DTXSID60464427 
CQVBJYBIGXUWPB-UHFFFAOYSA-N 
8332AA 
ANW-55637 
BBL100841 
Literature
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