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Home > Pyridines > 823198-74-9
823198-74-9 | Pyridine, 3-methyl-2-(phenylethynyl)-, hydrochloride
CAS No: 823198-74-9 Catalog No: AG005F5W MDL No:
Product Description
Catalog Number:
AG005F5W
Chemical Name:
Pyridine, 3-methyl-2-(phenylethynyl)-, hydrochloride
CAS Number:
823198-74-9
Molecular Formula:
C14H12ClN
Molecular Weight:
229.7048
IUPAC Name:
3-methyl-2-(2-phenylethynyl)pyridine;hydrochloride
InChI:
InChI=1S/C14H11N.ClH/c1-12-6-5-11-15-14(12)10-9-13-7-3-2-4-8-13;/h2-8,11H,1H3;1H
InChI Key:
RGYFDDJNIAPZEV-UHFFFAOYSA-N
SMILES:
Cc1cccnc1C#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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