Methyl 3,5-dibromo-2-hydroxybenzoate

• CAS: 21702-79-4
• Catalog Number: ACM21702794
• Category: Bromine Series
• Molecular Weight: 309.94
• Molecular Formula: C8H6Br2O3
• Synonyms: ZINC00043887, Methyl 3,5-dibromo-2-hydroxybenzoate, CID624217, STK392172, LT03381905, Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester, 21702-79-4
• IUPAC Name: methyl 3,5-dibromo-2-hydroxybenzoate
• Canonical SMILES: COC(=O)C1=CC(=CC(=C1O)Br)Br
• InChI Key: KISQISIKTRRMOX-UHFFFAOYSA-N
• Boiling Point: 282.3ºC at 760mmHg
• Melting Point: 146-156ºC
• Flash Point: 124.5ºC
• Density: 1.96g/cm³
• Appearance: White crystalline powder
• EC Number: 606-824-2
• Exact Mass: 307.86800
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Safety Description: 24/25

Custom Q&A

What is the molecular formula of Methyl 3,5-dibromo-2-hydroxybenzoate?

The molecular formula is C8H6Br2O3.

When was Methyl 3,5-dibromo-2-hydroxybenzoate created in PubChem?

It was created on March 27, 2005.

What is the InChIKey of Methyl 3,5-dibromo-2-hydroxybenzoate?

The InChIKey is KISQISIKTRRMOX-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Methyl 3,5-dibromo-2-hydroxybenzoate have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of Methyl 3,5-dibromo-2-hydroxybenzoate?

The topological polar surface area is 46.5 Ų.

Does Methyl 3,5-dibromo-2-hydroxybenzoate have any defined atom stereocenter count?

No, it has 0 defined atom stereocenter count.

What is the molecular weight of Methyl 3,5-dibromo-2-hydroxybenzoate?

The molecular weight is 309.94 g/mol.

What is the Canonical SMILES of Methyl 3,5-dibromo-2-hydroxybenzoate?

The Canonical SMILES is COC(=O)C1=C(C(=CC(=C1)Br)Br)O.

How many hydrogen bond acceptor counts does Methyl 3,5-dibromo-2-hydroxybenzoate have?

It has 3 hydrogen bond acceptor counts.

Is Methyl 3,5-dibromo-2-hydroxybenzoate a covalently-bonded unit?

Yes, it is a covalently-bonded unit.