Home Halogens Benzoic acid, 2-chloro-4-(trifluoromethyl)-, methyl ester

Benzoic acid, 2-chloro-4-(trifluoromethyl)-, methyl ester

CAS No.:
192805-96-2
Catalog Number:
AG002GC9
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$100
- +
5g
1 week
United States
$239
- +
25g
1 week
United States
$656
- +
Product Description
Catalog Number:
AG002GC9
Chemical Name:
Benzoic acid, 2-chloro-4-(trifluoromethyl)-, methyl ester
CAS Number:
192805-96-2
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
MDL Number:
MFCD12923259
IUPAC Name:
methyl 2-chloro-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6ClF3O2/c1-15-8(14)6-3-2-5(4-7(6)10)9(11,12)13/h2-4H,1H3
InChI Key:
QJZUPDUXEBVQHR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Cl)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:
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:
3.3  
Properties