CAS
947533-82-6 Purity
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947533-82-6 Purity
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4-(5-Bromo-imidazo[1,2-a]pyridin-2-yl)-benzoic acid methyl ester
CAS
947533-88-2
Catalog Number
ACM947533882
Category
Other Products
Molecular Weight
331.16404
Molecular Formula
C15H11BrN2O2
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Specification
Synonyms
4-(5-Bromo-imidazo[1,2-a]pyridin-2-yl)-benzoic acid methyl ester
What is the IUPAC name of the compound?
The IUPAC name of the compound is methyl 4-(5-bromoimidazo[1,2-a]pyridin-2-yl)benzoate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C15H11BrN2O2/c1-20-15(19)11-7-5-10(6-8-11)12-9-18-13(16)3-2-4-14(18)17-12/h2-9H,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is VIVGGTOKLXXUGB-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is COC(=O)C1=CC=C(C=C1)C2=CN3C(=N2)C=CC=C3Br.
What is the molecular weight of the compound?
The molecular weight of the compound is 331.16 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 4.3.
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 3 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 3 rotatable bond count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 43.6 Ų.
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