CAS
909187-37-7 Purity
96%
909187-37-7 Purity
96%
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4-(2-Bromo-phenyl)-3-oxo-butyric acid ethyl ester
CAS
909190-92-7
Catalog Number
ACM909190927
Category
Other Products
Molecular Weight
285.13
Molecular Formula
C12H13BrO3
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Specification
Synonyms
4-(2-BROMO-PHENYL)-3-OXO-BUTYRIC ACID ETHYL ESTER;2-BROMO-BETA-OXO-BENZENEBUTANOIC ACID ETHYL ESTER
What is the molecular formula of the compound?
The molecular formula of the compound is C12H13BrO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 285.13 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is ethyl 4-(2-bromophenyl)-3-oxobutanoate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C12H13BrO3/c1-2-16-12(15)8-10(14)7-9-5-3-4-6-11(9)13/h3-6H,2,7-8H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is VYZLJMJWBQRSJY-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOC(=O)CC(=O)CC1=CC=CC=C1Br.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.6.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
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