CAS
93858-44-7 Purity
96%
93858-44-7 Purity
96%
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2-Hydroxybutyl bromoacetate
CAS
93858-59-4
Catalog Number
ACM93858594
Category
Other Products
Molecular Weight
211.053740 [g/mol]
Molecular Formula
C6H11BrO3
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Specification
Synonyms
2-Hydroxybutyl bromoacetate, EINECS 299-291-7, CID3022707, 93858-59-4
IUPAC Name
2-hydroxybutyl 2-bromoacetate
Canonical SMILES
CCC(COC(=O)CBr)O
InChI Key
DAIKRYIFVNVKRJ-UHFFFAOYSA-N
Boiling Point
281.1ºC at 760mmHg
Flash Point
123.8ºC
Density
1.484g/cm³
EC Number
299-291-7
Exact Mass
209.98900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 2-Hydroxybutyl bromoacetate?
The molecular formula of 2-Hydroxybutyl bromoacetate is C6H11BrO3.
What is the molecular weight of 2-Hydroxybutyl bromoacetate?
The molecular weight of 2-Hydroxybutyl bromoacetate is 211.05 g/mol.
What is the IUPAC name of 2-Hydroxybutyl bromoacetate?
The IUPAC name of 2-Hydroxybutyl bromoacetate is 2-hydroxybutyl 2-bromoacetate.
What is the InChIKey of 2-Hydroxybutyl bromoacetate?
The InChIKey of 2-Hydroxybutyl bromoacetate is DAIKRYIFVNVKRJ-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 2-Hydroxybutyl bromoacetate have?
2-Hydroxybutyl bromoacetate has 1 hydrogen bond donor count.
What is the XLogP3-AA value of 2-Hydroxybutyl bromoacetate?
The XLogP3-AA value of 2-Hydroxybutyl bromoacetate is 1.2.
What is the topological polar surface area of 2-Hydroxybutyl bromoacetate?
The topological polar surface area of 2-Hydroxybutyl bromoacetate is 46.5 Ų.
How many rotatable bond counts does 2-Hydroxybutyl bromoacetate have?
2-Hydroxybutyl bromoacetate has 5 rotatable bond counts.
Is 2-Hydroxybutyl bromoacetate considered canonicalized?
Yes, 2-Hydroxybutyl bromoacetate is considered canonicalized.
When was 2-Hydroxybutyl bromoacetate created and last modified according to the reference?
2-Hydroxybutyl bromoacetate was created on 2005-08-08 and last modified on 2023-12-30.
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CAS
93858-61-8 Purity
96%
93858-61-8 Purity
96%
