Structure

3-Fluoro-4-(trifluoromethoxy)benzaldehyde

Catalog Number
ACMA00002804
Category
Ethers
Molecular Weight
208.11
Molecular Formula
C8H4BrF3O3

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Specification

Hazard Statements
H302 + H312 + H332-H315-H318
RIDADR
NONH for all modes of transport
Symbol
GHS05
What is the molecular formula of 3-Fluoro-4-(trifluoromethoxy)benzaldehyde?

The molecular formula is C8H4F4O2.

What is the molecular weight of 3-Fluoro-4-(trifluoromethoxy)benzaldehyde?

The molecular weight is 208.11 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 3-fluoro-4-(trifluoromethoxy)benzaldehyde.

What is the InChI code of the compound?

The InChI code is InChI=1S/C8H4F4O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-4H.

What is the InChIKey of the compound?

The InChIKey is RQLRUBHAAVGRPW-UHFFFAOYSA-N.

What is the canonical SMILES representation of the compound?

The canonical SMILES is C1=CC(=C(C=C1C=O)F)OC(F)(F)F.

What is the CAS number of the compound?

The CAS number is 473917-15-6.

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

The EC number is 676-487-4.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.7.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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