Home Halogens methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate

methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate

CAS No.:
885949-63-3
Catalog Number:
AG00IF7V
Molecular Formula:
C9H7ClF3NO2
Molecular Weight:
253.6056
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00IF7V
Chemical Name:
methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate
CAS Number:
885949-63-3
Molecular Formula:
C9H7ClF3NO2
Molecular Weight:
253.6056
IUPAC Name:
methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate
InChI:
InChI=1S/C9H7ClF3NO2/c1-16-8(15)3-7-6(10)2-5(4-14-7)9(11,12)13/h2,4H,3H2,1H3
InChI Key:
KORSBDKODWUAHP-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.012g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.605g/mol
Monoisotopic Mass:
253.012g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties