CAS
94159-32-7 Purity
96%
94159-32-7 Purity
96%
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Acetic acid,2-bromo-,2-hydroxy-1-(hydroxymethyl)ethyl ester
CAS
94159-36-1
Catalog Number
ACM94159361
Category
Other Products
Molecular Weight
213.02656
Molecular Formula
C5H9BrO4
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Specification
Synonyms
EINECS 303-215-0, 2-Hydroxy-1-(hydroxymethyl)ethyl bromoacetate, 94159-36-1
IUPAC Name
1,3-dihydroxypropan-2-yl 2-bromoacetate
Canonical SMILES
C(C(CO)OC(=O)CBr)O
InChI Key
VMINURGQAACCBR-UHFFFAOYSA-N
Boiling Point
307.4ºC at 760 mmHg
Flash Point
139.7ºC
Density
1.724g/cm³
EC Number
303-215-0
Exact Mass
211.96800
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of Acetic acid, 2-bromo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester?
The molecular formula is C5H9BrO4.
When was Acetic acid, 2-bromo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester first created?
It was first created on July 11, 2007.
What is the IUPAC Name of Acetic acid, 2-bromo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester?
The IUPAC Name is 1,3-dihydroxypropan-2-yl 2-bromoacetate.
What is the Canonical SMILES of Acetic acid, 2-bromo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester?
The Canonical SMILES is C(C(CO)OC(=O)CBr)O.
What is the molecular weight of Acetic acid, 2-bromo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester?
The molecular weight is 213.03 g/mol.
What is the InChIKey of Acetic acid, 2-bromo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester?
The InChIKey is VMINURGQAACCBR-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Acetic acid, 2-bromo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of Acetic acid, 2-bromo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester?
The topological polar surface area is 66.8 Ų.
How many rotatable bond counts does Acetic acid, 2-bromo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester have?
It has 5 rotatable bond counts.
Is Acetic acid, 2-bromo-, 2-hydroxy-1-(hydroxymethyl)ethyl ester a covalently-bonded unit?
Yes, it is a covalently-bonded unit.
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