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Structure

5-Bromo-3-chloro-2-fluorobenzotrifluoride

CAS
914225-67-5
Catalog Number
ACM914225675
Category
Other Products
Molecular Weight
277.44
Molecular Formula
C7H2BrClF4

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Specification

Synonyms
5-Bromo-3-Chloro-2-Fluorobenzotrifluoride
What is the PubChem CID for 5-Bromo-3-chloro-2-fluorobenzotrifluoride?

PubChem CID 45358382.

What is the molecular formula of 5-Bromo-3-chloro-2-fluorobenzotrifluoride?

The molecular formula is C7H2BrClF4.

What is the molecular weight of 5-Bromo-3-chloro-2-fluorobenzotrifluoride?

The molecular weight is 277.44 g/mol.

What is the IUPAC name of 5-Bromo-3-chloro-2-fluorobenzotrifluoride?

The IUPAC name is 5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene.

What is the InChI of 5-Bromo-3-chloro-2-fluorobenzotrifluoride?

The InChI is InChI=1S/C7H2BrClF4/c8-3-1-4(7(11,12)13)6(10)5(9)2-3/h1-2H.

What is the InChIKey of 5-Bromo-3-chloro-2-fluorobenzotrifluoride?

The InChIKey is BBEDFMIZRIVTRI-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-3-chloro-2-fluorobenzotrifluoride?

The canonical SMILES is C1=C(C=C(C(=C1C(F)(F)F)F)Cl)Br.

What is the CAS number of 5-Bromo-3-chloro-2-fluorobenzotrifluoride?

The CAS number is 914225-67-5.

What is the XLogP3-AA value of 5-Bromo-3-chloro-2-fluorobenzotrifluoride?

The XLogP3-AA value is 4.2.

Is 5-Bromo-3-chloro-2-fluorobenzotrifluoride a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

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