a-Tosyl-(2-bromobenzyl)isocyanide

CAS

936548-16-2

Catalog Number

ACM936548162

Category

Bromine Series

Molecular Weight

350.23

Molecular Formula

C₁₅H₁₂BrNO₂S

MSDS COA Spec Sheet

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Specification

Synonyms

a-Tosyl-(2-bromobenzyl) isocyanide, 936548-16-2, a-Tosyl-(2-bromobenzyl)isocyanide, alpha-Tosyl-(2-bromobenzyl) isocyanide, (2-Bromophenyl)(isocyano)methyl 4-methylphenyl sulphone, PubChem11920, CTK8E5626, MolPort-003-823-768, OR1746, alpha-Tosyl-(2-bromobenzyl)isocyanide, AKOS015919850, AB18980, 1-Bromo-2-(isocyano(tosyl)methyl)benzene, AK-17402, BR-17402, KB-47454, FT-0690265, W9629, A844666, [1-(2-BROMOPHENYL)-1-TOSYL]METHYL ISOCYANIDE

IUPAC Name

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

Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2Br)[N+]#[C-]

InChI Key

FDHXCUCSERDBAT-UHFFFAOYSA-N

Exact Mass

348.97700

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of a-Tosyl-(2-bromobenzyl)isocyanide?

The molecular formula of a-Tosyl-(2-bromobenzyl)isocyanide is C15H12BrNO2S.

What is the molecular weight of a-Tosyl-(2-bromobenzyl)isocyanide?

The molecular weight of a-Tosyl-(2-bromobenzyl)isocyanide is 350.2 g/mol.

What is the CAS number of a-Tosyl-(2-bromobenzyl)isocyanide?

The CAS number of a-Tosyl-(2-bromobenzyl)isocyanide is 936548-16-2.

What is the InChI of a-Tosyl-(2-bromobenzyl)isocyanide?

The InChI of a-Tosyl-(2-bromobenzyl)isocyanide is InChI=1S/C15H12BrNO2S/c1-11-7-9-12(10-8-11)20(18,19)15(17-2)13-5-3-4-6-14(13)16/h3-10,15H,1H3.

What is the InChIKey of a-Tosyl-(2-bromobenzyl)isocyanide?

The InChIKey of a-Tosyl-(2-bromobenzyl)isocyanide is FDHXCUCSERDBAT-UHFFFAOYSA-N.

What is the Canonical SMILES of a-Tosyl-(2-bromobenzyl)isocyanide?

The Canonical SMILES of a-Tosyl-(2-bromobenzyl)isocyanide is CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2Br)[N+]#[C-].

What is the XLogP3-AA value of a-Tosyl-(2-bromobenzyl)isocyanide?

The XLogP3-AA value of a-Tosyl-(2-bromobenzyl)isocyanide is 3.7.

How many hydrogen bond donor counts are there in a-Tosyl-(2-bromobenzyl)isocyanide?

There are 0 hydrogen bond donor counts in a-Tosyl-(2-bromobenzyl)isocyanide.

How many hydrogen bond acceptor counts are there in a-Tosyl-(2-bromobenzyl)isocyanide?

There are 3 hydrogen bond acceptor counts in a-Tosyl-(2-bromobenzyl)isocyanide.

What is the topological polar surface area of a-Tosyl-(2-bromobenzyl)isocyanide?

The topological polar surface area of a-Tosyl-(2-bromobenzyl)isocyanide is 46.9Å².