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401590-41-8 | 6-Chloro-3-(trifluoromethyl)picolinonitrile
CAS No: 401590-41-8 Catalog No: AG0037W5 MDL No:MFCD18261725
Product Description
Catalog Number:
AG0037W5
Chemical Name:
6-Chloro-3-(trifluoromethyl)picolinonitrile
CAS Number:
401590-41-8
Molecular Formula:
C7H2ClF3N2
Molecular Weight:
206.5524
MDL Number:
MFCD18261725
IUPAC Name:
6-chloro-3-(trifluoromethyl)pyridine-2-carbonitrile
InChI:
InChI=1S/C7H2ClF3N2/c8-6-2-1-4(7(9,10)11)5(3-12)13-6/h1-2H
InChI Key:
SQTMSBJBTATQID-UHFFFAOYSA-N
SMILES:
N#Cc1nc(Cl)ccc1C(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:
2.7
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