4-(Chlorosulfonyl)-7-fluoro-2,1,3-benzoxadiazole

CAS
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CAS
91366-64-2
Size
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Purity
96%
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Catalog Number

ACM91366642

Product Name

4-(Chlorosulfonyl)-7-fluoro-2,1,3-benzoxadiazole

Structure

Structure

CAS

91366-64-2

Category

Heterocyclic Organic Compound

Synonyms

7-Fluoro-4-benzofurazansulfonyl Chloride

IUPAC Name

7-fluoro-2,1,3-benzoxadiazole-4-sulfonyl chloride

Molecular Weight

236.61

Molecular Formula

C₆H₂ClFN₂O₃S

Canonical SMILES

C1=C(C2=NON=C2C(=C1)S(=O)(=O)Cl)F

InChI Key

ULAADSMIEGGGMT-UHFFFAOYSA-N

Boiling Point

357.7ºC at 760 mmHg

Melting Point

66-68ºC

Flash Point

170.2ºC

Density

1.77g/cm³

Appearance

Light Orange Solid

Exact Mass

235.94600

H-Bond Acceptor

6

H-Bond Donor

0

Stability

Light Sensitive

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 4-(Chlorosulfonyl)-7-fluoro-2,1,3-benzoxadiazole?

The molecular formula is C6H2ClFN2O3S.

When was 4-(Chlorosulfonyl)-7-fluoro-2,1,3-benzoxadiazole created?

It was created on 2005-09-13.

What is the IUPAC name of the compound?

The IUPAC name is 7-fluoro-2,1,3-benzoxadiazole-4-sulfonyl chloride.

What is the molecular weight of the compound?

The molecular weight is 236.61 g/mol.

How many hydrogen bond acceptor counts are there in the compound?

There are 6 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 81.4 Å2.

Is 4-(Chlorosulfonyl)-7-fluoro-2,1,3-benzoxadiazole a canonicalized compound?

Yes, it is canonicalized.

What is the InChIKey of the compound?

The InChIKey is ULAADSMIEGGGMT-UHFFFAOYSA-N.

How many rotatable bond counts are in the compound?

There is 1 rotatable bond count.

What is the exact mass of the compound?

The exact mass is 235.9458690 g/mol.

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