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1246685-28-8 | 4-Pyridinecarboxylic acid, 2-chloro-5-(trifluoromethyl)-, methyl ester
CAS No: 1246685-28-8 Catalog No: AG000MLL MDL No:MFCD18258738
Product Description
Catalog Number:
AG000MLL
Chemical Name:
4-Pyridinecarboxylic acid, 2-chloro-5-(trifluoromethyl)-, methyl ester
CAS Number:
1246685-28-8
Molecular Formula:
C8H5ClF3NO2
Molecular Weight:
239.5790
MDL Number:
MFCD18258738
IUPAC Name:
methyl 2-chloro-5-(trifluoromethyl)pyridine-4-carboxylate
InChI:
InChI=1S/C8H5ClF3NO2/c1-15-7(14)4-2-6(9)13-3-5(4)8(10,11)12/h2-3H,1H3
InChI Key:
NJEVEXBNCLQMAJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ncc1C(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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