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1196156-71-4 | 2-Pyrazinamine, 3-[2-(2-chloro-4-pyridinyl)ethynyl]-N-(phenylmethyl)-
CAS No: 1196156-71-4 Catalog No: AG000PCJ MDL No:MFCD13189773
Product Description
Catalog Number:
AG000PCJ
Chemical Name:
2-Pyrazinamine, 3-[2-(2-chloro-4-pyridinyl)ethynyl]-N-(phenylmethyl)-
CAS Number:
1196156-71-4
Molecular Formula:
C18H13ClN4
Molecular Weight:
320.7756
MDL Number:
MFCD13189773
IUPAC Name:
3-chloro-4-ethynylpyridine
InChI:
InChI=1S/C7H4ClN/c1-2-6-3-4-9-5-7(6)8/h1,3-5H
InChI Key:
HBIXKYZHQNPYGN-UHFFFAOYSA-N
SMILES:
Clc1nccc(c1)C#Cc1nccnc1NCc1ccccc1
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.003g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.566g/mol
Monoisotopic Mass:
137.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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