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1245913-20-5 | 3-Pyridinecarbonitrile, 6-chloro-2-(trifluoromethyl)-
CAS No: 1245913-20-5 Catalog No: AG000MFY MDL No:MFCD11848371
Product Description
Catalog Number:
AG000MFY
Chemical Name:
3-Pyridinecarbonitrile, 6-chloro-2-(trifluoromethyl)-
CAS Number:
1245913-20-5
Molecular Formula:
C7H2ClF3N2
Molecular Weight:
206.5524
MDL Number:
MFCD11848371
IUPAC Name:
6-chloro-2-(trifluoromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H2ClF3N2/c8-5-2-1-4(3-12)6(13-5)7(9,10)11/h1-2H
InChI Key:
YNOOOWSRQHMRAA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1C(F)(F)F)Cl
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:
2.5
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