Methyl 2,3,4-tribromobutanoate

• CAS: 854862-80-9
• Catalog Number: ACM854862809
• Category: Bromine Series
• Molecular Weight: 338.819880 [g/mol]
• Molecular Formula: C₅H₇Br₃O₂
• Synonyms: Methyl 2,3,4-tribromobutanoate;2,3,4-Tribromo-butanoic acid methyl ester
• IUPAC Name: methyl 2,3,4-tribromobutanoate
• Canonical SMILES: COC(=O)C(C(CBr)Br)Br
• InChI Key: BHLSTJKFRQSGRP-UHFFFAOYSA-N
• Exact Mass: 335.80000
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of methyl 2,3,4-tribromobutanoate?

The molecular formula of methyl 2,3,4-tribromobutanoate is C5H7Br3O2.

What is the molecular weight of methyl 2,3,4-tribromobutanoate?

The molecular weight of methyl 2,3,4-tribromobutanoate is 338.82 g/mol.

What is the IUPAC name of methyl 2,3,4-tribromobutanoate?

The IUPAC name of methyl 2,3,4-tribromobutanoate is methyl 2,3,4-tribromobutanoate.

What is the InChI of methyl 2,3,4-tribromobutanoate?

The InChI of methyl 2,3,4-tribromobutanoate is InChI=1S/C5H7Br3O2/c1-10-5(9)4(8)3(7)2-6/h3-4H,2H2,1H3.

What is the InChIKey of methyl 2,3,4-tribromobutanoate?

The InChIKey of methyl 2,3,4-tribromobutanoate is BHLSTJKFRQSGRP-UHFFFAOYSA-N.

What is the canonical SMILES of methyl 2,3,4-tribromobutanoate?

The canonical SMILES of methyl 2,3,4-tribromobutanoate is COC(=O)C(C(CBr)Br)Br.

What is the CAS number of methyl 2,3,4-tribromobutanoate?

The CAS number of methyl 2,3,4-tribromobutanoate is 854862-80-9.

What is the XLogP3-AA value of methyl 2,3,4-tribromobutanoate?

The XLogP3-AA value of methyl 2,3,4-tribromobutanoate is 2.5.

How many hydrogen bond donor counts does methyl 2,3,4-tribromobutanoate have?

Methyl 2,3,4-tribromobutanoate has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does methyl 2,3,4-tribromobutanoate have?

Methyl 2,3,4-tribromobutanoate has 2 hydrogen bond acceptor counts.