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Structure

3-Bromophenyl cyclobutyl ketone

CAS
898790-58-4
Catalog Number
ACM898790584
Category
Other Products
Molecular Weight
239.11
Molecular Formula
C11H11BrO

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Specification

Synonyms
3-BROMOPHENYL CYCLOBUTYL KETONE
IUPAC Name
(3-bromophenyl)-cyclobutylmethanone
Canonical SMILES
C1CC(C1)C(=O)C2=CC(=CC=C2)Br
InChI Key
GGJKRCSJDJSYQX-UHFFFAOYSA-N
Boiling Point
319.3ºC at 760 mmHg
Flash Point
86.2ºC
Density
1.456g/cm³
Exact Mass
237.99900
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 3-Bromophenyl cyclobutyl ketone?

The molecular formula of 3-Bromophenyl cyclobutyl ketone is C11H11BrO.

When was 3-Bromophenyl cyclobutyl ketone created in PubChem?

3-Bromophenyl cyclobutyl ketone was created in PubChem on 2008-02-29.

What is the molecular weight of 3-Bromophenyl cyclobutyl ketone?

The molecular weight of 3-Bromophenyl cyclobutyl ketone is 239.11 g/mol.

What is the IUPAC name of 3-Bromophenyl cyclobutyl ketone?

The IUPAC name of 3-Bromophenyl cyclobutyl ketone is (3-bromophenyl)-cyclobutylmethanone.

What is the InChIKey of 3-Bromophenyl cyclobutyl ketone?

The InChIKey of 3-Bromophenyl cyclobutyl ketone is GGJKRCSJDJSYQX-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 3-Bromophenyl cyclobutyl ketone?

There are 0 hydrogen bond donor counts in 3-Bromophenyl cyclobutyl ketone.

What is the XLogP3-AA value of 3-Bromophenyl cyclobutyl ketone?

The XLogP3-AA value of 3-Bromophenyl cyclobutyl ketone is 3.3.

What is the topological polar surface area of 3-Bromophenyl cyclobutyl ketone?

The topological polar surface area of 3-Bromophenyl cyclobutyl ketone is 17.1?2.

How many rotatable bond counts are there in 3-Bromophenyl cyclobutyl ketone?

There are 2 rotatable bond counts in 3-Bromophenyl cyclobutyl ketone.

Is 3-Bromophenyl cyclobutyl ketone a canonicalized compound in PubChem?

Yes, 3-Bromophenyl cyclobutyl ketone is a canonicalized compound in PubChem.

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