2-Ethylhexyl 2,3,4,5-tetrabromobenzoate

• Catalog Number: ACM183658277
• Product Name: 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate
• CAS: 183658-27-7
• Category: Heterocyclic Organic Compound
• Synonyms: 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate;2,3,4,5-TetrabroMobenzoic Acid 2-Ethylhexyl Ester
• Molecular Weight: 549.9
• Molecular Formula: C15H18Br4O2
• Complexity: 327
• Defined Atom Stereocenter Count: 0
• Exact Mass: 549.7999
• Formal Charge: 0
• Heavy Atom Count: 21
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 549.7999
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 26.3 Ų

Custom Q&A

What is the molecular formula of 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate?

The molecular formula is C15H18Br4O2.

What is the molecular weight of 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate?

The molecular weight is 549.9 g/mol.

What is the IUPAC name of 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate?

The IUPAC name is 2-ethylhexyl 2,3,4,5-tetrabromobenzoate.

What is the InChI of 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate?

The InChI is InChI=1S/C15H18Br4O2/c1-3-5-6-9(4-2)8-21-15(20)10-7-11(16)13(18)14(19)12(10)17/h7,9H,3-6,8H2,1-2H3.

What is the InChIKey of 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate?

The InChIKey is HVDXCGSGEQKWGB-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate?

The canonical SMILES is CCCCC(CC)COC(=O)C1=CC(=C(C(=C1Br)Br)Br)Br.

What is the CAS number of 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate?

The CAS number is 183658-27-7.

What is the XLogP3-AA value of 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate?

The XLogP3-AA value is 7.7.

What is the hydrogen bond acceptor count of 2-Ethylhexyl 2,3,4,5-tetrabromobenzoate?

The hydrogen bond acceptor count is 2.