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Structure

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

CAS
434-42-4
Catalog Number
ACM434424
Category
Other Products; Aryl
Molecular Weight
239.03
Molecular Formula
C8H6BrF3

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Specification

Synonyms
(1-bromo-2,2,2-trifluoroethyl)benzene, SureCN773469, AGN-PC-001F97, MolPort-014-008-463, AKOS005257936, KB-85535, (1-Bromo-2,2,2-trifluoro-ethyl)-benzene, Benzene, (1-bromo-2,2,2-trifluoroethyl)-, 434-42-4
IUPAC Name
(1-bromo-2,2,2-trifluoroethyl)benzene
Canonical SMILES
C1=CC=C(C=C1)C(C(F)(F)F)Br
InChI Key
IRICHAOGAOFEQI-UHFFFAOYSA-N
Exact Mass
237.96000
Hazard Statements
H314
H-Bond Acceptor
3
H-Bond Donor
0
RIDADR
UN 3265 8 / PGII
Symbol
GHS05
What is the molecular formula of (1-Bromo-2,2,2-trifluoroethyl)benzene?

The molecular formula is C8H6BrF3.

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

The molecular weight is 239.03 g/mol.

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

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

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

The InChI is InChI=1S/C8H6BrF3/c9-7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H.

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

The InChIKey is IRICHAOGAOFEQI-UHFFFAOYSA-N.

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

The canonical SMILES is C1=CC=C(C=C1)C(C(F)(F)F)Br.

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

The CAS number is 434-42-4.

What is the European Community (EC) number of (1-Bromo-2,2,2-trifluoroethyl)benzene?

The EC number is 685-767-5.

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

The XLogP3-AA value is 3.6.

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

Yes, (1-Bromo-2,2,2-trifluoroethyl)benzene is a canonicalized compound.

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