Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride

CAS
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CAS
97552-60-8
Size
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Purity
96%
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Availability
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Catalog Number

ACM97552608

Product Name

Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride

Structure

Structure

CAS

97552-60-8

Category

Heterocyclic Organic Compound

Synonyms

EINECS 307-113-7, Naphth(2,1-d)(1,2,3)oxadiazole-6-sulphonyl chloride, 97552-60-8

IUPAC Name

benzo[g][1,2,3]benzoxadiazole-6-sulfonyl chloride

Molecular Weight

268.6763

Molecular Formula

C₁₀H₅ClN₂O₃S

Canonical SMILES

C1=CC2=C(C=CC3=C2ON=N3)C(=C1)S(=O)(=O)Cl

InChI Key

PEANXEYQMOELEQ-UHFFFAOYSA-N

Boiling Point

425.5ºC at 760mmHg

Flash Point

211.1ºC

Density

1.642g/cm³

EC Number

307-113-7

Exact Mass

267.97100

H-Bond Acceptor

5

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride?

The molecular formula is C10H5ClN2O3S.

When was Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride created in PubChem?

It was created on August 20, 2009.

What is the IUPAC name of Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride?

The IUPAC name is benzo[g][1,2,3]benzoxadiazole-6-sulfonyl chloride.

How is the InChI of Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride computed?

The InChI is computed by InChI 1.0.6.

What is the Canonical SMILES of Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride?

The Canonical SMILES is C1=CC2=C(C=CC3=C2ON=N3)C(=C1)S(=O)(=O)Cl.

What is the CAS number of Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride?

The CAS number is 97552-60-8.

What is the molecular weight of Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride?

The molecular weight is 268.68 g/mol.

How many hydrogen bond acceptor counts does Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride have?

It has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride?

The topological polar surface area is 81.4 Å2.

Is the compound Naphth[2,1-d][1,2,3]oxadiazole-6-sulfonyl chloride canonicalized?

Yes, the compound is canonicalized according to PubChem.

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