CAS
477535-40-3 Purity
96%
477535-40-3 Purity
96%
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1-(5-Bromo-2-pyridinyl)-1H-pyrazole-4-carboxylic acid ethyl ester
CAS
915394-68-2
Catalog Number
ACM915394682
Category
Bromine Series
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What is the molecular formula of the compound with PubChem CID 60146082?
The molecular formula is C11H10BrN3O2.
When was this compound created in PubChem?
The compound was created on August 27, 2012.
What is the molecular weight of the compound?
The molecular weight is 296.12 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 1-(5-bromopyridin-2-yl)pyrazole-4-carboxylate.
What is the InChI of the compound?
The InChI is InChI=1S/C11H10BrN3O2/c1-2-17-11(16)8-5-14-15(7-8)10-4-3-9(12)6-13-10/h3-7H,2H2,1H3.
What is the InChIKey of the compound?
The InChIKey is HNVHJAHARXFVRR-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 4 hydrogen bond acceptors.
What is the topological polar surface area of the compound?
The topological polar surface area is 57Ų.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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