Allyl Chloroacetate

• Catalog Number: ACM-MO-2916145
• Product Name: Allyl Chloroacetate
• CAS: 2916-14-5
• Category: Polymer/Macromolecule
• Synonyms: Chloroacetic Acid Allyl Ester
• IUPAC Name: prop-2-enyl 2-chloroacetate
• Molecular Weight: 134.56 g/mol
• Molecular Formula: C5H7ClO2
• Canonical SMILES: ClCC(=O)OCC=C
• InChI: 1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
• InChI Key: VMBJJCDVORDOCF-UHFFFAOYSA-N
• Boiling Point: 164 °C
• Flash Point: 61 °C
• Density: 1.159 g/mL at 25 °C (lit.)
• Appearance: Colorless to Almost Colorless Clear Liquid
• Application: This product is suitable for scientific research.
• Assay: 98%
• Complexity: 90.4
• Covalently-Bonded Unit Count: 1
• EC Number: 220-839-8
• Exact Mass: 134.013457g/mol
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• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 8
• MDL Number: MFCD00058936
• Monoisotopic Mass: 134.013457g/mol
• NACRES: NA.23
• NSC Number: 44997
• Physical State: Liquid
• PubChem ID: 24864152
• Quality Level: 100
• Refractive Index: 1.45
• Rotatable Bond Count: 4
• SpecificGravity: 1.16
• XLogP3: 1.4

Custom Q&A

What is the molecular formula of allyl chloroacetate?

The molecular formula of allyl chloroacetate is C5H7ClO2.

What is the molecular weight of allyl chloroacetate?

The molecular weight of allyl chloroacetate is 134.56 g/mol.

What is the IUPAC name of allyl chloroacetate?

The IUPAC name of allyl chloroacetate is prop-2-enyl 2-chloroacetate.

What is the InChI of allyl chloroacetate?

The InChI of allyl chloroacetate is InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2.

What is the InChIKey of allyl chloroacetate?

The InChIKey of allyl chloroacetate is VMBJJCDVORDOCF-UHFFFAOYSA-N.

What is the canonical SMILES of allyl chloroacetate?

The canonical SMILES of allyl chloroacetate is C=CCOC(=O)CCl.

What is the CAS number of allyl chloroacetate?

The CAS number of allyl chloroacetate is 2916-14-5.

What is the XLogP3-AA value of allyl chloroacetate?

The XLogP3-AA value of allyl chloroacetate is 1.4.

How many hydrogen bond acceptor count does allyl chloroacetate have?

Allyl chloroacetate has 2 hydrogen bond acceptor count.

How many rotatable bond count does allyl chloroacetate have?

Allyl chloroacetate has 4 rotatable bond count.