Methyl (E)-4-bromo-2-butenoate

• CAS: 6000-00-6
• Catalog Number: ACM6000006
• Category: Bromine Series
• Molecular Weight: 179.01
• Molecular Formula: C₅H₇BrO₂
• Synonyms: Methyl 4-bromocrotonate, 1117-71-1, 2-Butenoic acid, 4-bromo-, methyl ester, methyl (2E)-4-bromobut-2-enoate, Methyl gamma-bromocrotonate, Methyl 4-bromo-2-butenoate, methyl (E)-4-bromobut-2-enoate, Methyl trans-4-bromo-2-butenoate, 4-Bromocrotonic Acid Methyl Ester, EINECS 214-251-0, NSC 77073, 4-Bromo-2-butenoic acid methyl ester, BRN 1745755, CROTONIC ACID, 4-BROMO-, METHYL ESTER, 6000-00-6, methyl 4-bromobut-2-enoate, Methyl trans-4-bromocrotonate, Methyl bromocrotonate, zlchem 231, AC1NSSGF
• IUPAC Name: methyl (E)-4-bromobut-2-enoate
• InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N
• Boiling Point: 83-85ºC13 mm Hg(lit.)
• Melting Point: 83-85ºC
• Flash Point: 197 °F
• Density: 1.522 g/mL at 25ºC(lit.)
• Exact Mass: 177.96300
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Safety Description: 26-39

Custom Q&A

What is the molecular formula of Methyl (E)-4-bromo-2-butenoate?

The molecular formula is C5H7BrO2.

What is the molecular weight of Methyl (E)-4-bromo-2-butenoate?

The molecular weight is 179.01 g/mol.

What is the IUPAC name of Methyl (E)-4-bromo-2-butenoate?

The IUPAC name is methyl (E)-4-bromobut-2-enoate.

What is the InChI of Methyl (E)-4-bromo-2-butenoate?

The InChI is InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+.

What is the InChIKey of Methyl (E)-4-bromo-2-butenoate?

The InChIKey is RWIKCBHOVNDESJ-NSCUHMNNSA-N.

What is the canonical SMILES of Methyl (E)-4-bromo-2-butenoate?

The canonical SMILES is COC(=O)C=CCBr.

How many hydrogen bond donor counts does Methyl (E)-4-bromo-2-butenoate have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Methyl (E)-4-bromo-2-butenoate have?

It has 2 hydrogen bond acceptor counts.

How many rotatable bond counts does Methyl (E)-4-bromo-2-butenoate have?

It has 3 rotatable bond counts.

What is the topological polar surface area of Methyl (E)-4-bromo-2-butenoate?

The topological polar surface area is 26.3 Ų.