Home Bromides 1026355-57-6
1026355-57-6,MFCD09999461
Catalog No.:AA0007WV
1026355-57-6 | Methyl 2-bromo-5-(trifluoromethyl)benzoate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97.0%
in stock  
$126.00   $88.00
- +
250mg
97.0%
in stock  
$172.00   $120.00
- +
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Technical Information
Catalog Number:
AA0007WV
Chemical Name:
Methyl 2-bromo-5-(trifluoromethyl)benzoate
CAS Number:
1026355-57-6
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
MDL Number:
MFCD09999461
IUPAC Name:
methyl 2-bromo-5-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6BrF3O2/c1-15-8(14)6-4-5(9(11,12)13)2-3-7(6)10/h2-4H,1H3
InChI Key:
ISBKZHUQXJKCKP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1Br)C(F)(F)F
Properties
Computed Properties
 
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.95g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.044g/mol
Monoisotopic Mass:
281.95g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

Synonyms
 
Methyl 2-bromo-5-(trifluoromethyl)benzoate 
1026355-57-6 
AKOS016003886 
SC-42598 
AJ-110608 
TC-152662 
FT-0723688 
ST24047688 
Y3541 
Q-7964 
Benzoic acid, 2-bromo-5-(trifluoromethyl)-, methyl ester 
C9H6BrF3O2 
2-Bromo-5-(trifluoromethyl)benzoic acid methyl ester 
CID10869779 
Methyl2-bromo-5-(trifluoromethyl)benzoate 
SCHEMBL15561128 
CTK8C0032 
DTXSID10446571 
ISBKZHUQXJKCKP-UHFFFAOYSA-N 
ANW-63917 
MFCD09999461 
ZINC47202247 
Literature
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