CAS
89980-08-5 Purity
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89980-08-5 Purity
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2-Chloro-3-(1H-tetrazol-5-yl)-pyridine
CAS
899808-67-4
Catalog Number
ACM899808674
Category
Other Products
Molecular Weight
181.58200
Molecular Formula
C6H4ClN5
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Specification
Synonyms
2-Chloro-3-(1H-tetrazol-5-yl)pyridine; Pyridine, 2-chloro-3-(1H-tetrazol-5-yl)-;
IUPAC Name
Pyridine, 2-chloro-3-(2H-tetrazol-5-yl)-
Exact Mass
181.01600
What is the molecular formula of the compound?
The molecular formula is C6H4ClN5.
What is the molecular weight of the compound?
The molecular weight is 181.58 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-chloro-3-(2H-tetrazol-5-yl)pyridine.
What is the InChI of the compound?
The InChI is InChI=1S/C6H4ClN5/c7-5-4(2-1-3-8-5)6-9-11-12-10-6/h1-3H,(H,9,10,11,12).
What is the InChIKey of the compound?
The InChIKey is LXRGBTMGHYWGKA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=CC(=C(N=C1)Cl)C2=NNN=N2.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
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