CAS
939758-96-0 Purity
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939758-96-0 Purity
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3-Bromo-1-azetidinecarboxylic acid benzyl ester
CAS
939759-25-8
Catalog Number
ACM939759258
Category
Other Products
Molecular Weight
270.12
Molecular Formula
C11H12BrNO2
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Specification
Density
1.546
What is the molecular formula of 3-Bromo-1-azetidinecarboxylic acid benzyl ester?
The molecular formula of 3-Bromo-1-azetidinecarboxylic acid benzyl ester is C11H12BrNO2.
When was the compound created and modified in PubChem?
The compound was created on 2007-07-30 and modified on 2023-12-30 in PubChem.
What is the IUPAC name of the compound?
The IUPAC name of the compound is benzyl 3-bromoazetidine-1-carboxylate.
What is the InChI of 3-Bromo-1-azetidinecarboxylic acid benzyl ester?
The InChI of 3-Bromo-1-azetidinecarboxylic acid benzyl ester is InChI=1S/C11H12BrNO2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is C1C(CN1C(=O)OCC2=CC=CC=C2)Br.
What is the molecular weight of 3-Bromo-1-azetidinecarboxylic acid benzyl ester?
The molecular weight of 3-Bromo-1-azetidinecarboxylic acid benzyl ester is 270.12 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass of the compound is 269.00514 g/mol.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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