CAS
93567-90-9 Purity
96%
93567-90-9 Purity
96%
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Ethyl 6-(3-bromophenyl)-6-oxohexanoate
CAS
93568-69-5
Catalog Number
ACM93568695
Category
Other Products
Molecular Weight
313.19
Molecular Formula
C14H17BrO3
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Specification
Synonyms
ETHYL 6-(3-BROMOPHENYL)-6-OXOHEXANOATE
IUPAC Name
ethyl 6-(3-bromophenyl)-6-oxohexanoate
Canonical SMILES
CCOC(=O)CCCCC(=O)C1=CC(=CC=C1)Br
InChI Key
WBPHALFXTSWKHZ-UHFFFAOYSA-N
Boiling Point
392.3ºC at 760 mmHg
Flash Point
191.1ºC
Density
1.306g/cm³
Exact Mass
312.03600
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Ethyl 6-(3-bromophenyl)-6-oxohexanoate?
The molecular formula is C14H17BrO3.
When was Ethyl 6-(3-bromophenyl)-6-oxohexanoate created and last modified?
It was created on February 29, 2008, and last modified on December 30, 2023.
What is the IUPAC name of Ethyl 6-(3-bromophenyl)-6-oxohexanoate?
The IUPAC name is ethyl 6-(3-bromophenyl)-6-oxohexanoate.
What is the InChI of Ethyl 6-(3-bromophenyl)-6-oxohexanoate?
The InChI is InChI=1S/C14H17BrO3/c1-2-18-14(17)9-4-3-8-13(16)11-6-5-7-12(15)10-11/h5-7,10H,2-4,8-9H2,1H3.
What is the InChIKey of Ethyl 6-(3-bromophenyl)-6-oxohexanoate?
The InChIKey is WBPHALFXTSWKHZ-UHFFFAOYSA-N.
What is the Canonical SMILES of Ethyl 6-(3-bromophenyl)-6-oxohexanoate?
The Canonical SMILES is CCOC(=O)CCCCC(=O)C1=CC(=CC=C1)Br.
What is the molecular weight of Ethyl 6-(3-bromophenyl)-6-oxohexanoate?
The molecular weight is 313.19 g/mol.
How many hydrogen bond acceptors does Ethyl 6-(3-bromophenyl)-6-oxohexanoate have?
It has 3 hydrogen bond acceptors.
What is the topological polar surface area of Ethyl 6-(3-bromophenyl)-6-oxohexanoate?
The topological polar surface area is 43.4 Ų.
Is Ethyl 6-(3-bromophenyl)-6-oxohexanoate a canonicalized compound?
Yes, it is a canonicalized compound.
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