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

Methyl 3-bromo-4-(trifluoromethyl)benzoate

CAS No.:
455941-82-9
Catalog Number:
AG00DHWN
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$57
- +
5g
≥95%
In Stock USA
United States
$151
- +
10g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$563
- +
100g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00DHWN
Chemical Name:
Methyl 3-bromo-4-(trifluoromethyl)benzoate
CAS Number:
455941-82-9
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
MDL Number:
MFCD14697998
IUPAC Name:
methyl 3-bromo-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6BrF3O2/c1-15-8(14)5-2-3-6(7(10)4-5)9(11,12)13/h2-4H,1H3
InChI Key:
KRBIMWDSILHGKR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Br)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