Structure

3-Bromo-4-fluorotoluene

CAS
452-62-0
Catalog Number
ACM452620
Category
Bromine Series
Molecular Weight
189.02
Molecular Formula
C7H6BrF

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Specification

Hazard Statements
H314
RIDADR
UN 1993C 3 / PGIII
Symbol
GHS05
What is the molecular formula of 3-Bromo-4-fluorotoluene?

The molecular formula of 3-Bromo-4-fluorotoluene is C7H6BrF.

What is the molecular weight of 3-Bromo-4-fluorotoluene?

The molecular weight of 3-Bromo-4-fluorotoluene is 189.02 g/mol.

What is the IUPAC name of 3-Bromo-4-fluorotoluene?

The IUPAC name of 3-Bromo-4-fluorotoluene is 2-bromo-1-fluoro-4-methylbenzene.

What is the Canonical SMILES representation of 3-Bromo-4-fluorotoluene?

The Canonical SMILES representation of 3-Bromo-4-fluorotoluene is CC1=CC(=C(C=C1)F)Br.

What is the InChIKey of 3-Bromo-4-fluorotoluene?

The InChIKey of 3-Bromo-4-fluorotoluene is QLRKALMVPCQTMU-UHFFFAOYSA-N.

How many hydrogen bond acceptor count does 3-Bromo-4-fluorotoluene have?

3-Bromo-4-fluorotoluene has one hydrogen bond acceptor count.

What is the topological polar surface area of 3-Bromo-4-fluorotoluene?

The topological polar surface area of 3-Bromo-4-fluorotoluene is 0Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the XLogP3-AA value of 3-Bromo-4-fluorotoluene?

The XLogP3-AA value of 3-Bromo-4-fluorotoluene is 3.1.

How many covalently-bonded unit counts does 3-Bromo-4-fluorotoluene have?

3-Bromo-4-fluorotoluene has 1 covalently-bonded unit count.

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