CAS
898791-41-8 Purity
96%
898791-41-8 Purity
96%
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3-Bromophenyl cyclopentyl ketone
CAS
898791-44-1
Catalog Number
ACM898791441
Category
Other Products
Molecular Weight
253.14
Molecular Formula
C12H13BrO
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Specification
Synonyms
3-BROMOPHENYL CYCLOPENTYL KETONE
IUPAC Name
(3-bromophenyl)-cyclopentylmethanone
Canonical SMILES
C1CCC(C1)C(=O)C2=CC(=CC=C2)Br
InChI Key
VGGBIJBPTCLCPI-UHFFFAOYSA-N
Boiling Point
335.5ºC at 760 mmHg
Flash Point
75.1ºC
Density
1.391g/cm³
Exact Mass
252.01500
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 3-Bromophenyl cyclopentyl ketone?
The molecular formula of 3-Bromophenyl cyclopentyl ketone is C12H13BrO.
When was 3-Bromophenyl cyclopentyl ketone first created and modified in the PubChem database?
3-Bromophenyl cyclopentyl ketone was first created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of 3-Bromophenyl cyclopentyl ketone?
The IUPAC name of 3-Bromophenyl cyclopentyl ketone is (3-bromophenyl)-cyclopentylmethanone.
What is the InChI of 3-Bromophenyl cyclopentyl ketone?
The InChI of 3-Bromophenyl cyclopentyl ketone is InChI=1S/C12H13BrO/c13-11-7-3-6-10(8-11)12(14)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2.
What is the Canonical SMILES representation of 3-Bromophenyl cyclopentyl ketone?
The Canonical SMILES representation of 3-Bromophenyl cyclopentyl ketone is C1CCC(C1)C(=O)C2=CC(=CC=C2)Br.
What is the molecular weight of 3-Bromophenyl cyclopentyl ketone?
The molecular weight of 3-Bromophenyl cyclopentyl ketone is 253.13 g/mol.
How many hydrogen bond donor counts does 3-Bromophenyl cyclopentyl ketone have?
3-Bromophenyl cyclopentyl ketone has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of 3-Bromophenyl cyclopentyl ketone?
The XLogP3-AA value of 3-Bromophenyl cyclopentyl ketone is 3.8.
How many rotatable bond counts does 3-Bromophenyl cyclopentyl ketone have?
3-Bromophenyl cyclopentyl ketone has 2 rotatable bond counts.
Is 3-Bromophenyl cyclopentyl ketone considered as the canonical form in the PubChem database?
Yes, 3-Bromophenyl cyclopentyl ketone is considered as the canonical form in the PubChem database.
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