Home Bromides 1027513-81-0
1027513-81-0,MFCD09996898
Catalog No.:AA000878
1027513-81-0 | Benzene, 1-bromo-2-(2,2,2-trifluoroethyl)-
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250mg
98%
1 week  
$72.00
- +
1g
98%
1 week  
$102.00
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5g
98%
1 week  
$285.00
- +
25g
98%
1 week  
$742.00
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100g
98%
1 week  
$2,478.00
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  • Technical Information
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Technical Information
Catalog Number:
AA000878
Chemical Name:
Benzene, 1-bromo-2-(2,2,2-trifluoroethyl)-
CAS Number:
1027513-81-0
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
MDL Number:
MFCD09996898
IUPAC Name:
1-bromo-2-(2,2,2-trifluoroethyl)benzene
InChI:
InChI=1S/C8H6BrF3/c9-7-4-2-1-3-6(7)5-8(10,11)12/h1-4H,5H2
InChI Key:
USTNSUARVYHWHF-UHFFFAOYSA-N
SMILES:
Brc1ccccc1CC(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-2-(2,2,2-trifluoroethyl)benzene 
1027513-81-0 
ZINC63361001 
AKOS005255451 
AB55785 
FS-4827 
Bromo-2-(2,2,2-trifluoroethyl)benzene 
TR-055115 
1-bromo-2(-2,2,2-trifluoroethyl)-benzene 
FT-0678624 
Benzene, 1-bromo-2-(2,2,2-trifluoroethyl)- 
Y-9459 
1-Bromo-2-(2,2,2-trifluoroethyl)-benzene 
I01-12771 
Z1741967908 
C8H6BrF3 
SCHEMBL263115 
CTK5I8726 
DTXSID00672302 
USTNSUARVYHWHF-UHFFFAOYSA-N 
7684AC 
BBL102616 
STL556419 
Literature
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