CAS
99073-82-2 Purity
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99073-82-2 Purity
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1-(2-Chlorophenyl)-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid
CAS
99074-45-0
Catalog Number
ACM99074450
Category
Other Products
Molecular Weight
237.64
Molecular Formula
C10H8ClN3O2
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What is the molecular formula of the compound with the PubChem CID 838345?
The molecular formula is C10H8ClN3O2.
What is the IUPAC name of the compound?
The IUPAC name is 1-(2-chlorophenyl)-5-methyltriazole-4-carboxylic acid.
What is the InChI of the compound?
The InChI is InChI=1S/C10H8ClN3O2/c1-6-9(10(15)16)12-13-14(6)8-5-3-2-4-7(8)11/h2-5H,1H3,(H,15,16).
What is the InChIKey of the compound?
The InChIKey is LFEXQNUUUHXDEE-UHFFFAOYSA-N.
What is the canonical SMILES notation of the compound?
The canonical SMILES notation is CC1=C(N=NN1C2=CC=CC=C2Cl)C(=O)O.
What is the molecular weight of the compound?
The molecular weight is 237.64 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.2.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 4 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 2 rotatable bond count.
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