Tert-butyl-3-bromobenzoate

• CAS: 69038-74-0
• Catalog Number: ACM69038740
• Category: Bromine Series
• Molecular Weight: 257.12
• Molecular Formula: C₁₁H₁₃BrO₂
• Synonyms: NSC338413, CID334079, 69038-74-0
• IUPAC Name: tert-butyl 3-bromobenzoate
• Canonical SMILES: CC(C)(C)OC(=O)C1=CC(=CC=C1)Br
• InChI Key: NPVLZVSAZXTBSR-UHFFFAOYSA-N
• Boiling Point: 283ºC at 760 mmHg
• Flash Point: 125ºC
• Density: 1.331g/cm³
• EC Number: 614-908-5
• Exact Mass: 256.01000
• H-Bond Acceptor: 2
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of tert-butyl-3-bromobenzoate?

The molecular formula of tert-butyl-3-bromobenzoate is C11H13BrO2.

What is the molecular weight of tert-butyl-3-bromobenzoate?

The molecular weight of tert-butyl-3-bromobenzoate is 257.12 g/mol.

What is the IUPAC name of tert-butyl-3-bromobenzoate?

The IUPAC name of tert-butyl-3-bromobenzoate is tert-butyl 3-bromobenzoate.

What is the InChI of tert-butyl-3-bromobenzoate?

The InChI of tert-butyl-3-bromobenzoate is InChI=1S/C11H13BrO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,1-3H3.

What is the InChIKey of tert-butyl-3-bromobenzoate?

The InChIKey of tert-butyl-3-bromobenzoate is NPVLZVSAZXTBSR-UHFFFAOYSA-N.

What is the canonical SMILES of tert-butyl-3-bromobenzoate?

The canonical SMILES of tert-butyl-3-bromobenzoate is CC(C)(C)OC(=O)C1=CC(=CC=C1)Br.

What is the CAS number of tert-butyl-3-bromobenzoate?

The CAS number of tert-butyl-3-bromobenzoate is 69038-74-0.

What is the European Community (EC) number of tert-butyl-3-bromobenzoate?

The European Community (EC) number of tert-butyl-3-bromobenzoate is 614-908-5.

What is the DSSTox Substance ID of tert-butyl-3-bromobenzoate?

The DSSTox Substance ID of tert-butyl-3-bromobenzoate is DTXSID30318988.

What is the XLogP3 value of tert-butyl-3-bromobenzoate?

The XLogP3 value of tert-butyl-3-bromobenzoate is 4.2.