Home Halogens 2-chloro-6-methoxy-4-(trifluoromethyl)nicotinonitrile

2-chloro-6-methoxy-4-(trifluoromethyl)nicotinonitrile

CAS No.:
1589549-33-6
Catalog Number:
AG01DGYS
Molecular Formula:
C8H4ClF3N2O
Molecular Weight:
236.5784
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Product Description
Catalog Number:
AG01DGYS
Chemical Name:
2-chloro-6-methoxy-4-(trifluoromethyl)nicotinonitrile
CAS Number:
1589549-33-6
Molecular Formula:
C8H4ClF3N2O
Molecular Weight:
236.5784
MDL Number:
MFCD31652423
IUPAC Name:
2-chloro-6-methoxy-4-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C8H4ClF3N2O/c1-15-6-2-5(8(10,11)12)4(3-13)7(9)14-6/h2H,1H3
InChI Key:
IDJGCHZLHLIILQ-UHFFFAOYSA-N
SMILES:
COc1nc(Cl)c(c(c1)C(F)(F)F)C#N
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.996g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.578g/mol
Monoisotopic Mass:
235.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties