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Structure

2-(3-Bromopropyl)-1,3-dioxolane

CAS
62563-07-9
Catalog Number
ACM62563079
Category
Other Products; Bromine Series
Molecular Weight
195.054340 [g/mol]
Molecular Formula
C6H11BrO2

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Specification

Synonyms
2-(3-bromopropyl)-1,3-dioxolane, 62563-07-9, 2-(3-Bromopropyl)-[1,3]dioxolane, NSC617308, SureCN889477, AC1L7B7N, AC1Q27UA, ACMC-209n58, CTK2B7280, 4-bromobutyraldehyde ethylene ketal, 4-Bromobutylaldehyde Ethylene Acetal, ANW-34266, AKOS015836139, 1,3-Dioxolane, 2-(3-bromopropyl)-, AG-L-23898, NSC-617308, KB-190100, KB-221646, B3463, I14-107896
IUPAC Name
2-(3-bromopropyl)-1,3-dioxolane
Canonical SMILES
C1COC(O1)CCCBr
InChI Key
IQIXIJRPYSOGPY-UHFFFAOYSA-N
Exact Mass
193.99400
H-Bond Acceptor
2
H-Bond Donor
0
May 23, 2023


An important pharmaceutical intermediate.
2-(3-Bromopropyl)-1,3-dioxolane can synthesize the anti-inflammatory drug naproxen.

What is the molecular formula of the compound?

The molecular formula of the compound is C6H11BrO2.

What are some synonyms for the compound?

Some synonyms for the compound are 2-(3-bromopropyl)-1,3-dioxolane, 62563-07-9, MFCD09868694, and 1,3-Dioxolane, 2-(3-bromopropyl)-.

What is the molecular weight of the compound?

The molecular weight of the compound is 195.05 g/mol.

When was the compound created and modified?

The compound was created on 2005-03-26 and last modified on 2023-12-02.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(3-bromopropyl)-1,3-dioxolane.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C6H11BrO2/c7-3-1-2-6-8-4-5-9-6/h6H,1-5H2.

What is the InChIKey of the compound?

The InChIKey of the compound is IQIXIJRPYSOGPY-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1COC(O1)CCCBr.

What is the CAS number of the compound?

The CAS number of the compound is 62563-07-9.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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