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Structure

3-(2-Chloro-4-fluorophenoxy)pyrrolidine

CAS
946726-66-5
Catalog Number
ACM946726665
Category
Other Products
Molecular Weight
215.651843 [g/mol]
Molecular Formula
C10H11ClFNO

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Specification

Synonyms
3-(2-CHLORO-4-FLUOROPHENOXY)PYRROLIDINE, CTK7B8799, MolPort-003-993-193, AKOS005264574, AG-A-50152, 946726-66-5
IUPAC Name
3-(2-chloro-4-fluorophenoxy)pyrrolidine
InChI Key
XHMHTNULNLTTSJ-UHFFFAOYSA-N
Exact Mass
215.05100
H-Bond Acceptor
3
H-Bond Donor
1
What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(2-chloro-4-fluorophenoxy)pyrrolidine.

What is the molecular formula of the compound?

The molecular formula of the compound is C10H11ClFNO.

What is the molecular weight of the compound?

The molecular weight of the compound is 215.65 g/mol.

What is the InChIKey of the compound?

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

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 21.3 Ų.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

When was the compound created and modified in PubChem?

The compound was created on 2010-03-29 and modified on 2023-12-30 in PubChem.

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