2-Hydroxy-1,3-propanediyl bis(bromoacetate)

CAS
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CAS
94087-95-3
Size
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Purity
96%
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Catalog Number

ACM94087953

Product Name

2-Hydroxy-1,3-propanediyl bis(bromoacetate)

Structure

Structure

CAS

94087-95-3

Category

Heterocyclic Organic Compound

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

Molecular Weight

333.959300 [g/mol]

Molecular Formula

C₇H₁₀Br₂O₅

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

MSDS

COA

Spec Sheet

Download Spec Sheet

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 Å².

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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