Structure

1-Bromo-2-(1,1-difluoroethyl)benzene

CAS
444581-46-8
Catalog Number
ACM444581468
Category
Aryl
Molecular Weight
221.04
Molecular Formula
C7H6BrCl

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Specification

Hazard Statements
H302-H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 1-Bromo-2-(1,1-difluoroethyl)benzene?

The molecular formula is C8H7BrF2.

What is the molecular weight of 1-Bromo-2-(1,1-difluoroethyl)benzene?

The molecular weight is 221.04 g/mol.

What is the IUPAC name of 1-Bromo-2-(1,1-difluoroethyl)benzene?

The IUPAC name is 1-bromo-2-(1,1-difluoroethyl)benzene.

What is the InChI of 1-Bromo-2-(1,1-difluoroethyl)benzene?

The InChI is InChI=1S/C8H7BrF2/c1-8(10,11)6-4-2-3-5-7(6)9/h2-5H,1H3.

What is the InChIKey of 1-Bromo-2-(1,1-difluoroethyl)benzene?

The InChIKey is XZJWDIHNMMLGLA-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromo-2-(1,1-difluoroethyl)benzene?

The canonical SMILES is CC(C1=CC=CC=C1Br)(F)F.

What is the CAS number of 1-Bromo-2-(1,1-difluoroethyl)benzene?

The CAS number is 444581-46-8.

What is the XLogP3-AA value of 1-Bromo-2-(1,1-difluoroethyl)benzene?

The XLogP3-AA value is 3.4.

Is 1-Bromo-2-(1,1-difluoroethyl)benzene a canonicalized compound?

Yes, it is a canonicalized compound.

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