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Home > Pyridines > 823198-75-0
823198-75-0 | Pyridine, 2,4-dimethyl-6-(phenylethynyl)-, hydrochloride
CAS No: 823198-75-0 Catalog No: AG0054NR MDL No:
Product Description
Catalog Number:
AG0054NR
Chemical Name:
Pyridine, 2,4-dimethyl-6-(phenylethynyl)-, hydrochloride
CAS Number:
823198-75-0
Molecular Formula:
C15H14ClN
Molecular Weight:
243.7314
IUPAC Name:
2,4-dimethyl-6-(2-phenylethynyl)pyridine;hydrochloride
InChI:
InChI=1S/C15H13N.ClH/c1-12-10-13(2)16-15(11-12)9-8-14-6-4-3-5-7-14;/h3-7,10-11H,1-2H3;1H
InChI Key:
CXIKWWWUCBDFNT-UHFFFAOYSA-N
SMILES:
Cc1cc(C#Cc2ccccc2)nc(c1)C.Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.734g/mol
Monoisotopic Mass:
243.081g/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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