CAS
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7-Chloro[1,2,4]triazolo[4,3-c]pyrimidine
Catalog Number
ACMA00000637
Category
Alkenyl
Molecular Weight
154.56
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Specification
Hazard Statements
H225-H302 + H332-H314-H317-H411
RIDADR
NONH for all modes of transport
Symbol
GHS02
What is the molecular formula of the compound?
The molecular formula is C5H3ClN4.
What is the molecular weight of the compound?
The molecular weight is 154.56 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the InChI of the compound?
The InChI is InChI=1S/C5H3ClN4/c6-4-1-5-9-8-3-10(5)2-7-4/h1-3H.
What is the InChIKey of the compound?
The InChIKey is NXPWNUDUDIHZQC-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=C(N=CN2C1=NN=C2)Cl.
What is the CAS number of the compound?
The CAS number is 923191-97-3.
How many hydrogen bond donor atoms are in the compound?
There are 0 hydrogen bond donor atoms in the compound.
How many hydrogen bond acceptor atoms are in the compound?
There are 3 hydrogen bond acceptor atoms in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area is 43.1Ų.
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