a-Tosyl-(4-bromobenzyl)isocyanide

• CAS: 655254-61-8
• Catalog Number: ACM655254618
• Category: Bromine Series
• Molecular Weight: 350.23
• Molecular Formula: C₁₅H₁₂BrNO₂S
• Synonyms: 655254-61-8, a-Tosyl-(4-bromobenzyl) isocyanide, 1-bromo-4-(isocyano(tosyl)methyl)benzene, (4-Bromophenyl)(isocyano)methyl 4-methylphenyl sulphone, 4-Bromo-1-[isocyano(toluene-4-sulphonyl)]methylbenzene, 4-Bromo-1-[isocyano-(toluene-4-sulfonyl)-methyl]-benzene, a-Tosyl-(4-bromobenzyl)isocyanide, AC1MCKFP, PubChem11918, CTK5C2830, -Tosyl-(4-bromobenzyl)isocyanide, MolPort-001-756-527, ?-Tosyl-(4-bromobenzyl)isocyanide, AKOS005257327, AB18973, AG-G-46718, GL-0218, OR01701, AK-17403, BR-17403
• IUPAC Name: 1-[(4-bromophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)Br)[N+]#[C-]
• InChI Key: AMMDZRMHSZRYRW-UHFFFAOYSA-N
• Exact Mass: 348.97700
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of a-Tosyl-(4-bromobenzyl)isocyanide?

The molecular formula is C15H12BrNO2S.

What is the molecular weight of a-Tosyl-(4-bromobenzyl)isocyanide?

The molecular weight is 350.2 g/mol.

When was a-Tosyl-(4-bromobenzyl)isocyanide created and modified in PubChem?

It was created on July 19, 2005, and last modified on December 2, 2023.

What is the IUPAC name of a-Tosyl-(4-bromobenzyl)isocyanide?

The IUPAC name is 1-[(4-bromophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene.

What is the InChI of a-Tosyl-(4-bromobenzyl)isocyanide?

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

What is the InChIKey of a-Tosyl-(4-bromobenzyl)isocyanide?

The InChIKey is AMMDZRMHSZRYRW-UHFFFAOYSA-N.

What is the canonical SMILES of a-Tosyl-(4-bromobenzyl)isocyanide?

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

What is the XLogP3-AA value of a-Tosyl-(4-bromobenzyl)isocyanide?

The XLogP3-AA value is 3.7.

How many hydrogen bond donor counts does a-Tosyl-(4-bromobenzyl)isocyanide have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does a-Tosyl-(4-bromobenzyl)isocyanide have?

It has 3 hydrogen bond acceptor counts.