CAS
937018-36-5 Purity
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937018-36-5 Purity
96%
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1H-Indole-2-carboxylic acid,3-bromo-5-chloro-,ethyl ester
CAS
93704-68-8
Catalog Number
ACM93704688
Category
Other Products
Molecular Weight
302.55
Molecular Formula
C11H9BrClNO2
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Specification
Synonyms
1H-INDOLE-2-CARBOXYLIC ACID, 3-BROMO-5-CHLORO-, ETHYL ESTER
What is the molecular formula of ethyl 3-bromo-5-chloro-1H-indole-2-carboxylate?
The molecular formula is C11H9BrClNO2.
When was this compound first created and modified?
It was created on 2007-02-08 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 3-bromo-5-chloro-1H-indole-2-carboxylate.
What is the InChI of the compound?
The InChI is InChI=1S/C11H9BrClNO2/c1-2-16-11(15)10-9(12)7-5-6(13)3-4-8(7)14-10/h3-5,14H,2H2,1H3.
What is the InChIKey of the compound?
The InChIKey is UCCIFVNIAMAXLD-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)Br.
What is the molecular weight of the compound?
The molecular weight is 302.55 g/mol.
How many hydrogen bond donor counts does the compound have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 42.1 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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937047-05-7 Purity
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937047-05-7 Purity
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