3-(Bromomethyl)-1,2-benzisoxazole

CAS
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Purity
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CAS
37924-85-9
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM37924859

Product Name

3-(Bromomethyl)-1,2-benzisoxazole

Structure

Structure

CAS

37924-85-9

Category

Bromine Series

Synonyms

BMBI;3-(BROMOMETHYL)-1,2-BENZISOXAZOLE;3-BROMOMETHYL-1,2-BENZISOXAZOLE(ZONISAMIDE INTERMEDIATE);3-Bromoethylbenzo[o]isoxazole;3-(bromomethyl)benzo[d]isoxazole;1,2-Benzisoxazole, 3-(bromomethyl)-

IUPAC Name

3-(bromomethyl)-1,2-benzoxazole

Molecular Weight

212.04

Molecular Formula

C8H6BrNO

Canonical SMILES

C1=CC=C2C(=C1)C(=NO2)CBr

InChI Key

MAIKTETULSZRED-UHFFFAOYSA-N

Boiling Point

302.5ºC at 760 mmHg

Melting Point

64-65ºC

Flash Point

136.8ºC

Density

1.642g/cm³

Appearance

Colourless Crystalline Solid

EC Number

609-489-0

Exact Mass

210.96300

H-Bond Acceptor

2

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound?

The molecular formula of the compound is C8H6BrNO.

What is the molecular weight of the compound?

The molecular weight of the compound is 212.04 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(bromomethyl)-1,2-benzoxazole.

What is the CAS number of the compound?

The CAS number of the compound is 37924-85-9.

How many hydrogen bond donor count does the compound have?

The compound has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 2 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 1 rotatable bond count.

What is the exact mass of the compound?

The exact mass of the compound is 210.96328 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 26Å².

How many heavy atom count does the compound have?

The compound has 11 heavy atom count.

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