Home Halogens Methyl 3-bromo-4-(trifluoromethoxy)benzoate

Methyl 3-bromo-4-(trifluoromethoxy)benzoate

CAS No.:
1131594-45-0
Catalog Number:
AG008YBI
Molecular Formula:
C9H6BrF3O3
Molecular Weight:
299.0413
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$159
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Product Description
Catalog Number:
AG008YBI
Chemical Name:
Methyl 3-bromo-4-(trifluoromethoxy)benzoate
CAS Number:
1131594-45-0
Molecular Formula:
C9H6BrF3O3
Molecular Weight:
299.0413
MDL Number:
MFCD11110912
IUPAC Name:
methyl 3-bromo-4-(trifluoromethoxy)benzoate
InChI:
InChI=1S/C9H6BrF3O3/c1-15-8(14)5-2-3-7(6(10)4-5)16-9(11,12)13/h2-4H,1H3
InChI Key:
FUGFQIWUUXHAFM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Br)OC(F)(F)F
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.945g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.043g/mol
Monoisotopic Mass:
297.945g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties