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

Methyl 4-bromo-3-(trifluoromethyl)benzoate

CAS No.:
107317-58-8
Catalog Number:
AG0084W4
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$15
- +
5g
95%
In Stock USA
United States
$58
- +
10g
98%
In Stock USA
United States
$100
- +
25g
98%
In Stock USA
United States
$207
- +
100g
98%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG0084W4
Chemical Name:
Methyl 4-bromo-3-(trifluoromethyl)benzoate
CAS Number:
107317-58-8
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
MDL Number:
MFCD10566409
IUPAC Name:
methyl 4-bromo-3-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6BrF3O2/c1-15-8(14)5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3
InChI Key:
DTVRLJMSCKUEEN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(F)(F)F)Br
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