Home Halogens methyl 5-bromo-2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 5-bromo-2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate

CAS No.:
1256837-19-0
Catalog Number:
AG01DYM3
Molecular Formula:
C8H4BrClF3NO2
Molecular Weight:
318.4751
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Product Description
Catalog Number:
AG01DYM3
Chemical Name:
methyl 5-bromo-2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CAS Number:
1256837-19-0
Molecular Formula:
C8H4BrClF3NO2
Molecular Weight:
318.4751
MDL Number:
MFCD18258585
IUPAC Name:
methyl 5-bromo-2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C8H4BrClF3NO2/c1-16-7(15)3-2-4(9)5(8(11,12)13)14-6(3)10/h2H,1H3
InChI Key:
ZBRNFOHROUGJSU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(nc1Cl)C(F)(F)F
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.907g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.474g/mol
Monoisotopic Mass:
316.907g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties