CAS
898792-64-8 Purity
96%
898792-64-8 Purity
96%
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Ethyl 5-(4-bromophenyl)-5-oxovalerate
CAS
898792-67-1
Catalog Number
ACM898792671
Category
Other Products
Molecular Weight
299.16
Molecular Formula
C13H15BrO3
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Specification
Synonyms
ETHYL 5-(4-BROMOPHENYL)-5-OXOVALERATE
IUPAC Name
ethyl 5-(4-bromophenyl)-5-oxopentanoate
Canonical SMILES
CCOC(=O)CCCC(=O)C1=CC=C(C=C1)Br
InChI Key
WZICQDGQRHVBLQ-UHFFFAOYSA-N
Boiling Point
388.8ºC at 760 mmHg
Flash Point
189ºC
Density
1.34g/cm³
Exact Mass
298.02000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Ethyl 5-(4-bromophenyl)-5-oxovalerate?
The molecular formula of Ethyl 5-(4-bromophenyl)-5-oxovalerate is C13H15BrO3.
When was Ethyl 5-(4-bromophenyl)-5-oxovalerate created and modified?
Ethyl 5-(4-bromophenyl)-5-oxovalerate was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC Name of Ethyl 5-(4-bromophenyl)-5-oxovalerate?
The IUPAC Name of Ethyl 5-(4-bromophenyl)-5-oxovalerate is ethyl 5-(4-bromophenyl)-5-oxopentanoate.
What is the InChI Key of Ethyl 5-(4-bromophenyl)-5-oxovalerate?
The InChI Key of Ethyl 5-(4-bromophenyl)-5-oxovalerate is WZICQDGQRHVBLQ-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Ethyl 5-(4-bromophenyl)-5-oxovalerate have?
Ethyl 5-(4-bromophenyl)-5-oxovalerate has 3 hydrogen bond acceptors.
What is the exact mass of Ethyl 5-(4-bromophenyl)-5-oxovalerate?
The exact mass of Ethyl 5-(4-bromophenyl)-5-oxovalerate is 298.02046 g/mol.
Is Ethyl 5-(4-bromophenyl)-5-oxovalerate a canonicalized compound?
Yes, Ethyl 5-(4-bromophenyl)-5-oxovalerate is a canonicalized compound.
What is the XLogP3-AA value of Ethyl 5-(4-bromophenyl)-5-oxovalerate?
The XLogP3-AA value of Ethyl 5-(4-bromophenyl)-5-oxovalerate is 2.8.
How many rotatable bond counts does Ethyl 5-(4-bromophenyl)-5-oxovalerate have?
Ethyl 5-(4-bromophenyl)-5-oxovalerate has 7 rotatable bond counts.
What is the topological polar surface area of Ethyl 5-(4-bromophenyl)-5-oxovalerate?
The topological polar surface area of Ethyl 5-(4-bromophenyl)-5-oxovalerate is 43.4 Å2.
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