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Home > Pyridines > 823198-73-8
823198-73-8 | Pyridine, 4-methyl-2-(phenylethynyl)-, hydrochloride
CAS No: 823198-73-8 Catalog No: AG004ZBJ MDL No:
Product Description
Catalog Number:
AG004ZBJ
Chemical Name:
Pyridine, 4-methyl-2-(phenylethynyl)-, hydrochloride
CAS Number:
823198-73-8
Molecular Formula:
C14H12ClN
Molecular Weight:
229.7048
IUPAC Name:
4-methyl-2-(2-phenylethynyl)pyridine;hydrochloride
InChI:
InChI=1S/C14H11N.ClH/c1-12-9-10-15-14(11-12)8-7-13-5-3-2-4-6-13;/h2-6,9-11H,1H3;1H
InChI Key:
AHADWKMDICWUNB-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)C#Cc1ccccc1.Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.707g/mol
Monoisotopic Mass:
229.066g/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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