Home Halogens Methyl 2-chloro-5-(trifluoromethyl)benzoate

Methyl 2-chloro-5-(trifluoromethyl)benzoate

CAS No.:
26107-79-9
Catalog Number:
AG002ROT
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$267
- +
5g
98%
1 week
United States
$906
- +
25g
98%
1 week
United States
$3441
- +
Product Description
Catalog Number:
AG002ROT
Chemical Name:
Methyl 2-chloro-5-(trifluoromethyl)benzoate
CAS Number:
26107-79-9
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
MDL Number:
MFCD06203726
IUPAC Name:
methyl 2-chloro-5-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6ClF3O2/c1-15-8(14)6-4-5(9(11,12)13)2-3-7(6)10/h2-4H,1H3
InChI Key:
ROEMPTYBFWTSSQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1Cl)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