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Home > Fluorides > 823198-86-3
823198-86-3 | Pyridine, 2-methyl-6-[[3-(trifluoromethyl)phenyl]ethynyl]-, hydrochloride
CAS No: 823198-86-3 Catalog No: AG005F5S MDL No:
Product Description
Catalog Number:
AG005F5S
Chemical Name:
Pyridine, 2-methyl-6-[[3-(trifluoromethyl)phenyl]ethynyl]-, hydrochloride
CAS Number:
823198-86-3
Molecular Formula:
C15H11ClF3N
Molecular Weight:
297.7027
IUPAC Name:
2-methyl-6-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyridine;hydrochloride
InChI:
InChI=1S/C15H10F3N.ClH/c1-11-4-2-7-14(19-11)9-8-12-5-3-6-13(10-12)15(16,17)18;/h2-7,10H,1H3;1H
InChI Key:
BUXCUDGJILIRIK-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)C#Cc1cccc(c1)C(F)(F)F.Cl
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.053g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.705g/mol
Monoisotopic Mass:
297.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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