2-(3-Bromo-phenyl)-thiazole-4-carbaldehyde

• CAS: 750624-69-2
• Catalog Number: ACM750624692
• Category: Bromine Series
• Molecular Weight: 268.13
• Molecular Formula: C₁₀H₆BrNOS
• Synonyms: 750624-69-2, 2-(3-bromophenyl)-1,3-thiazole-4-carbaldehyde, 2-(3-Bromophenyl)thiazole-4-carbaldehyde, 2-(3-Bromo-phenyl)-thiazole-4-carbaldehyde, SBB066501, AG-G-99034, 2-(3-bromophenyl)-4-thiazolecarboxaldehyde, ZINC02656618, PubChem7863, AC1M2NG5, JSPY-st000072, JSPY-st000174, AC1Q24J3, CTK5E1004, MolPort-002-466-904, ANW-60873, AKOS001073260, AB23747, MCULE-1610563735, RP06449
• IUPAC Name: 2-(3-bromophenyl)-1,3-thiazole-4-carbaldehyde
• Canonical SMILES: C1=CC(=CC(=C1)Br)C2=NC(=CS2)C=O
• InChI Key: YNXSRZKASQSOPO-UHFFFAOYSA-N
• Boiling Point: 407.455ºC at 760 mmHg
• Flash Point: 200.222ºC
• Density: 1.622g/cm³
• Exact Mass: 266.93500
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H6BrNOS.

What is the molecular weight of the compound?

The molecular weight of the compound is 268.13 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(3-bromophenyl)-1,3-thiazole-4-carbaldehyde.

What is the InChIKey of the compound?

The InChIKey of the compound is YNXSRZKASQSOPO-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1=CC(=CC(=C1)Br)C2=NC(=CS2)C=O.

What is the CAS number of the compound?

The CAS number of the compound is 750624-69-2.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.