CAS
94087-90-8 Purity
96%
94087-90-8 Purity
96%
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2-Hydroxy-1,3-propanediyl bis(bromoacetate)
CAS
94087-95-3
Catalog Number
ACM94087953
Category
Other Products
Molecular Weight
333.959300 [g/mol]
Molecular Formula
C7H10Br2O5
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Specification
Synonyms
EINECS 301-991-5, 2-Hydroxy-1,3-propanediyl bis(bromoacetate), 94087-95-3
IUPAC Name
[3-(2-bromoacetyl)oxy-2-hydroxypropyl] 2-bromoacetate
Canonical SMILES
C(C(COC(=O)CBr)O)OC(=O)CBr
InChI Key
UVFRXPBXERGFTI-UHFFFAOYSA-N
Boiling Point
353.5ºC at 760mmHg
Flash Point
167.6ºC
Density
1.905g/cm³
EC Number
301-991-5
Exact Mass
331.88900
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 2-Hydroxy-1,3-propanediyl bis(bromoacetate)?
The molecular formula of 2-Hydroxy-1,3-propanediyl bis(bromoacetate) is C7H10Br2O5.
When was the structure of 2-Hydroxy-1,3-propanediyl bis(bromoacetate) created?
The structure was created on August 20, 2009.
What is the IUPAC name of 2-Hydroxy-1,3-propanediyl bis(bromoacetate)?
The IUPAC name of the compound is [3-(2-bromoacetyl)oxy-2-hydroxypropyl] 2-bromoacetate.
What is the InChI key of 2-Hydroxy-1,3-propanediyl bis(bromoacetate)?
The InChI key is UVFRXPBXERGFTI-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of 2-Hydroxy-1,3-propanediyl bis(bromoacetate)?
The topological polar surface area is 72.8 Ų.
How many rotatable bond counts does the compound have?
The compound has 8 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the molecular weight of 2-Hydroxy-1,3-propanediyl bis(bromoacetate)?
The molecular weight is 333.96 g/mol.
What is the complexity score of the compound?
The complexity score is 177.
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