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Structure

4-(TRIFLUOROMETHOXY)PHENYLACETYLENE

CAS
160542-02-9
Catalog Number
ACM160542029
Category
Other Products; Alkynes
Molecular Weight
186.13
Molecular Formula
C9H5F3O

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Specification

Hazard Statements
H225-H304
RIDADR
UN 1993C 3 / PGIII
Symbol
GHS02
What is the molecular formula of the compound?

The molecular formula of the compound is C9H5F3O.

What is the molecular weight of the compound?

The molecular weight of the compound is 186.13 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-ethynyl-4-(trifluoromethoxy)benzene.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H5F3O/c1-2-7-3-5-8(6-4-7)13-9(10,11)12/h1,3-6H.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C#CC1=CC=C(C=C1)OC(F)(F)F.

What is the CAS number of the compound?

The CAS number of the compound is 160542-02-9.

What is the EC number of the compound?

The EC number of the compound is 626-654-2.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 4.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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