CAS
959240-31-4 Purity
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959240-31-4 Purity
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2-Chloro-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine
CAS
959240-51-8
Catalog Number
ACM959240518
Category
Other Products
Molecular Weight
195.605740 [g/mol]
Molecular Formula
C8H6ClN3O
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Specification
Synonyms
2-chloro-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridine, 959240-51-8, Ambcb4027333, CTK5H8401, BBL004449, STL137818, ZINC19092296, AKOS005716539, AG-H-94440, MCULE-7365111612, AK121348, EN300-83142, 5-(2-Chloropyridin-4-yl)-3-methyl-1,2,4-oxadiazole
IUPAC Name
5-(2-chloropyridin-4-yl)-3-methyl-1,2,4-oxadiazole
SMILES
CC1=NOC(=N1)C2=CC(=NC=C2)Cl
InChI Key
PGOOYEJYEUZJBF-UHFFFAOYSA-N
Boiling Point
366.9ºC at 760 mmHg
Flash Point
175.7ºC
Density
1.345g/cm³
Exact Mass
195.02000
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 28064727?
The molecular formula is C8H6ClN3O.
When was the compound with CID 28064727 created on PubChem?
It was created on May 28, 2009.
What is the IUPAC name of the compound?
The IUPAC name is 5-(2-chloropyridin-4-yl)-3-methyl-1,2,4-oxadiazole.
What is the canonical SMILES representation of the compound?
The canonical SMILES is CC1=NOC(=N1)C2=CC(=NC=C2)Cl.
What is the molecular weight of the compound?
The molecular weight is 195.60 g/mol.
How many hydrogen bond donor counts are in the compound?
There are 0 hydrogen bond donor counts.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count is 4.
What is the topological polar surface area of the compound?
The topological polar surface area is 51.8 Ų.
How many heavy atoms are in the compound?
There are 13 heavy atoms.
Is the compound with CID 28064727 canonicalized?
Yes, the compound is canonicalized.
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