CAS
94425-50-0 Purity
96%
94425-50-0 Purity
96%
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2-Bromo-6-methylbenzotrifluoride
CAS
944268-56-8
Catalog Number
ACM944268568
Category
Other Products
Molecular Weight
239.032450 [g/mol]
Molecular Formula
C8H6BrF3
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Specification
Synonyms
2-Bromo-6-methylbenzotrifluoride, 944268-56-8, SureCN696825, CTK8E7440, AKOS005255488, KB-68323, 1-bromo-3-methyl-2-(trifluoromethyl)benzene
IUPAC Name
1-bromo-3-methyl-2-(trifluoromethyl)benzene
Canonical SMILES
CC1=C(C(=CC=C1)Br)C(F)(F)F
InChI Key
BGTQSQRDRWEFPU-UHFFFAOYSA-N
Exact Mass
237.96000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-Bromo-6-methylbenzotrifluoride?
The molecular formula of 2-Bromo-6-methylbenzotrifluoride is C8H6BrF3.
What is the molecular weight of 2-Bromo-6-methylbenzotrifluoride?
The molecular weight of 2-Bromo-6-methylbenzotrifluoride is 239.03 g/mol.
What is the IUPAC name of 2-Bromo-6-methylbenzotrifluoride?
The IUPAC name of 2-Bromo-6-methylbenzotrifluoride is 1-bromo-3-methyl-2-(trifluoromethyl)benzene.
What is the InChI of 2-Bromo-6-methylbenzotrifluoride?
The InChI of 2-Bromo-6-methylbenzotrifluoride is InChI=1S/C8H6BrF3/c1-5-3-2-4-6(9)7(5)8(10,11)12/h2-4H,1H3.
What is the InChIKey of 2-Bromo-6-methylbenzotrifluoride?
The InChIKey of 2-Bromo-6-methylbenzotrifluoride is BGTQSQRDRWEFPU-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Bromo-6-methylbenzotrifluoride?
The canonical SMILES of 2-Bromo-6-methylbenzotrifluoride is CC1=C(C(=CC=C1)Br)C(F)(F)F.
What is the CAS number of 2-Bromo-6-methylbenzotrifluoride?
The CAS number of 2-Bromo-6-methylbenzotrifluoride is 944268-56-8.
What is the European Community (EC) number of 2-Bromo-6-methylbenzotrifluoride?
The European Community (EC) number of 2-Bromo-6-methylbenzotrifluoride is 871-174-0.
What is the XLogP3-AA value of 2-Bromo-6-methylbenzotrifluoride?
The XLogP3-AA value of 2-Bromo-6-methylbenzotrifluoride is 3.9.
Is 2-Bromo-6-methylbenzotrifluoride a canonicalized compound?
Yes, 2-Bromo-6-methylbenzotrifluoride is a canonicalized compound.
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