Methyl 2-acetamido-5-bromobenzoate

• CAS: 138825-96-4
• Catalog Number: ACM138825964
• Category: Bromine Series
• Molecular Weight: 272.0953
• Molecular Formula: C₁₀H₁₀BrNO₃
• Synonyms: 528803_ALDRICH, ZINC00156416, Methyl 2-acetamido-5-bromobenzoate, CID736223, T6168750, 138825-96-4
• IUPAC Name: methyl 2-acetamido-5-bromobenzoate
• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC
• InChI Key: CPARHIBNDSEJGR-UHFFFAOYSA-N
• Boiling Point: 415.5ºC at 760 mmHg
• Melting Point: 131ºC
• Flash Point: 205.1ºC
• Density: 1.54 g/cm³
• Appearance: white to slightly beige crystalline powder
• EC Number: 604-097-6
• Exact Mass: 270.98400
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Safety Description: S24/25

Custom Q&A

What is the molecular formula of Methyl 2-acetamido-5-bromobenzoate?

The molecular formula is C10H10BrNO3.

What is the molecular weight of Methyl 2-acetamido-5-bromobenzoate?

The molecular weight is 272.09 g/mol.

When was Methyl 2-acetamido-5-bromobenzoate created and modified in PubChem?

It was created on July 8, 2005, and last modified on December 2, 2023.

What is the IUPAC name of Methyl 2-acetamido-5-bromobenzoate?

The IUPAC name is methyl 2-acetamido-5-bromobenzoate.

What is the InChI of Methyl 2-acetamido-5-bromobenzoate?

The InChI is InChI=1S/C10H10BrNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13).

What is the InChIKey of Methyl 2-acetamido-5-bromobenzoate?

The InChIKey is CPARHIBNDSEJGR-UHFFFAOYSA-N.

What is the canonical SMILES of Methyl 2-acetamido-5-bromobenzoate?

The canonical SMILES is CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OC.

What is the CAS number of Methyl 2-acetamido-5-bromobenzoate?

The CAS number is 138825-96-4.

What is the European Community (EC) number of Methyl 2-acetamido-5-bromobenzoate?

The European Community (EC) number is 604-097-6.

Is Methyl 2-acetamido-5-bromobenzoate a canonicalized compound?

Yes, Methyl 2-acetamido-5-bromobenzoate is a canonicalized compound.