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

Methyl 4-chloro-3-(trifluoromethyl)benzoate

CAS No.:
115591-64-5
Catalog Number:
AG000G83
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$135
- +
1g
1 week
United States
$232
- +
5g
1 week
United States
$649
- +
25g
1 week
United States
$2239
- +
Product Description
Catalog Number:
AG000G83
Chemical Name:
Methyl 4-chloro-3-(trifluoromethyl)benzoate
CAS Number:
115591-64-5
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
MDL Number:
MFCD06203691
IUPAC Name:
methyl 4-chloro-3-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6ClF3O2/c1-15-8(14)5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3
InChI Key:
GDGXIYBUDUJCEV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.001g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.59g/mol
Monoisotopic Mass:
238.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties