CAS
898792-70-6 Purity
96%
898792-70-6 Purity
96%
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Ethyl 8-(3-bromophenyl)-8-oxooctanoate
CAS
898792-73-9
Catalog Number
ACM898792739
Category
Other Products
Molecular Weight
341.24
Molecular Formula
C16H21BrO3
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Specification
Synonyms
ETHYL 8-(3-BROMOPHENYL)-8-OXOOCTANOATE
IUPAC Name
ethyl 8-(3-bromophenyl)-8-oxooctanoate
Canonical SMILES
CCOC(=O)CCCCCCC(=O)C1=CC(=CC=C1)Br
InChI Key
JHWUMLQOYSFOTC-UHFFFAOYSA-N
Boiling Point
418.5ºC at 760 mmHg
Flash Point
206.9ºC
Density
1.251g/cm³
Exact Mass
340.06700
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Ethyl 8-(3-bromophenyl)-8-oxooctanoate?
The molecular formula is C16H21BrO3.
When was Ethyl 8-(3-bromophenyl)-8-oxooctanoate created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of Ethyl 8-(3-bromophenyl)-8-oxooctanoate?
The IUPAC name is ethyl 8-(3-bromophenyl)-8-oxooctanoate.
What is the InChIKey of Ethyl 8-(3-bromophenyl)-8-oxooctanoate?
The InChIKey is JHWUMLQOYSFOTC-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Ethyl 8-(3-bromophenyl)-8-oxooctanoate have?
It has 0 hydrogen bond donor counts.
What is the exact mass of Ethyl 8-(3-bromophenyl)-8-oxooctanoate?
The exact mass is 340.06741 g/mol.
How many rotatable bond counts does Ethyl 8-(3-bromophenyl)-8-oxooctanoate have?
It has 10 rotatable bond counts.
What is the topological polar surface area of Ethyl 8-(3-bromophenyl)-8-oxooctanoate?
The topological polar surface area is 43.4 2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
How many heavy atoms are present in Ethyl 8-(3-bromophenyl)-8-oxooctanoate?
There are 20 heavy atoms.
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