Benzene,2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl]-

Name: Benzene,2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl]-
SKU: ACM952727774
Rating: 5 (1 reviews)

CAS

952727-77-4

Catalog Number

ACM952727774

Category

Other Products

Molecular Weight

340.22

Molecular Formula

C₁₅H₁₁Cl₂NO₂S

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Specification

Synonyms

a-Tosyl-(2,4-dichlorobenzyl) isocyanide, 952727-77-4, 2,4-DICHLORO-1-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-BENZENE, (2,4-dichlorophenyl)(isocyano)methyl 4-methylphenyl sulfone, AC1MCKFL, CTK5H7617, MolPort-000-148-936, BBL021408, STK894121, AKOS005144578, AB19035, AG-H-92425, GL-0216, OR01699, AK-17408, BR-17408, KB-17311, FT-0694142, W9733, ALPHA-TOSYL-(2,4-DICHLOROBENZYL) ISOCYANIDE

IUPAC Name

2,4-dichloro-1-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=C(C=C(C=C2)Cl)Cl)[N+]#[C-]

InChI Key

GPIBEUGOSPSWAE-UHFFFAOYSA-N

Exact Mass

338.98900

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Benzene, 2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl]?

The molecular formula is C15H11Cl2NO2S.

When was Benzene, 2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl] created and last modified?

It was created on July 19, 2005, and last modified on December 30, 2023.

What is the IUPAC name of Benzene, 2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl]?

The IUPAC name is 2,4-dichloro-1-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene.

What is the molecular weight of Benzene, 2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl]?

The molecular weight is 340.2 g/mol.

What is the Canonical SMILES representation of Benzene, 2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl]?

The Canonical SMILES is CC1=CC=C(C=C1)S(=O)(=O)C(C2=C(C=C(C=C2)Cl)Cl)[N+]#[C-].

How many hydrogen bond acceptor counts does Benzene, 2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl] have?

It has 3 hydrogen bond acceptor counts.

What is the topological polar surface area of Benzene, 2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl]?

The topological polar surface area is 46.9 Å².

Does Benzene, 2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl] have any defined atom stereocenter counts?

No, it does not have any defined atom stereocenter counts.

How many rotatable bond counts does Benzene, 2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl] have?

It has 3 rotatable bond counts.

Is the compound Benzene, 2,4-dichloro-1-[isocyano[(4-methylphenyl)sulfonyl]methyl] canonicalized?

Yes, the compound is canonicalized.