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Structure

2-(2-Fluorophenyl)-3-butyn-2-ol

CAS
104684-14-2
Catalog Number
ACM104684142
Category
Alkynes
Molecular Weight
164.18
Molecular Formula
C9H14

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Specification

Hazard Statements
H226-H315-H319-H335
RIDADR
NONH for all modes of transport
Symbol
GHS02
What is the molecular formula of the compound?

The molecular formula is C10H9FO.

What is the molecular weight of the compound?

The molecular weight is 164.18 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-(2-fluorophenyl)but-3-yn-2-ol.

What is the InChI of the compound?

The InChI is InChI=1S/C10H9FO/c1-3-10(2,12)8-6-4-5-7-9(8)11/h1,4-7,12H,2H3.

What is the InChIKey of the compound?

The InChIKey is OLJDZKKBLLNDGJ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(C#C)(C1=CC=CC=C1F)O.

What is the CAS number of the compound?

The CAS number is 104684-14-2.

What is the European Community (EC) Number of the compound?

The European Community (EC) Number is 693-723-1.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.6.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

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