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80194-70-3 | 3-Chloro-5-(trifluoromethyl)picolinonitrile
CAS No: 80194-70-3 Catalog No: AG0033O3 MDL No:MFCD00664066
Product Description
Catalog Number:
AG0033O3
Chemical Name:
3-Chloro-5-(trifluoromethyl)picolinonitrile
CAS Number:
80194-70-3
Molecular Formula:
C7H2ClF3N2
Molecular Weight:
206.5524
MDL Number:
MFCD00664066
IUPAC Name:
3-chloro-5-(trifluoromethyl)pyridine-2-carbonitrile
InChI:
InChI=1S/C7H2ClF3N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H
InChI Key:
FUPKVFJSGNZICR-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cc1Cl)C(F)(F)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.986g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.552g/mol
Monoisotopic Mass:
205.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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