Home Halogens Methyl 3-bromo-5-(trifluoromethyl)benzoate

Methyl 3-bromo-5-(trifluoromethyl)benzoate

CAS No.:
187331-46-0
Catalog Number:
AG00AMQ0
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$25
- +
5g
98%
In Stock USA
United States
$88
- +
10g
98%
In Stock USA
United States
$138
- +
25g
98%
In Stock USA
United States
$263
- +
100g
98%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG00AMQ0
Chemical Name:
Methyl 3-bromo-5-(trifluoromethyl)benzoate
CAS Number:
187331-46-0
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
MDL Number:
MFCD11847338
IUPAC Name:
methyl 3-bromo-5-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6BrF3O2/c1-15-8(14)5-2-6(9(11,12)13)4-7(10)3-5/h2-4H,1H3
InChI Key:
CHJZZYDOCDJKFY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1)C(F)(F)F
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  
Properties