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1196153-33-9 | Pyridine, 5-chloro-2-ethynyl-
CAS No: 1196153-33-9 Catalog No: AG000PB7 MDL No:MFCD13189715
Product Description
Catalog Number:
AG000PB7
Chemical Name:
Pyridine, 5-chloro-2-ethynyl-
CAS Number:
1196153-33-9
Molecular Formula:
C7H4ClN
Molecular Weight:
137.5664
MDL Number:
MFCD13189715
IUPAC Name:
5-chloro-2-ethynylpyridine
InChI:
InChI=1S/C7H4ClN/c1-2-7-4-3-6(8)5-9-7/h1,3-5H
InChI Key:
MDWHTKFYMVXXFX-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cn1)Cl
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:
1.8
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