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655235-65-7 | Methyl 3-chloro-5-(trifluoromethyl)picolinate
CAS No: 655235-65-7 Catalog No: AG003RRQ MDL No:MFCD01570523
Product Description
Catalog Number:
AG003RRQ
Chemical Name:
Methyl 3-chloro-5-(trifluoromethyl)picolinate
CAS Number:
655235-65-7
Molecular Formula:
C8H5ClF3NO2
Molecular Weight:
239.5790
MDL Number:
MFCD01570523
IUPAC Name:
methyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
InChI:
InChI=1S/C8H5ClF3NO2/c1-15-7(14)6-5(9)2-4(3-13-6)8(10,11)12/h2-3H,1H3
InChI Key:
IBDYTWWXSCCQRL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.578g/mol
Monoisotopic Mass:
238.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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