Methyl 4-bromo-3-nitrobenzoate

• CAS: 2363-16-8
• Catalog Number: ACM2363168
• Category: Bromine Series
• Molecular Weight: 260.04
• Molecular Formula: C8H6BrNO4
• Synonyms: 2-Bromo-5-(methoxycarbonyl)nitrobenzene
• IUPAC Name: methyl 4-bromo-3-nitrobenzoate
• Canonical SMILES: COC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-]
• InChI: InChI=1S/C8H6BrNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
• InChI Key: BNNDHGPPQZVKMX-UHFFFAOYSA-N
• Boiling Point: 320.9±22.0 ºC
• Melting Point: 102-103 ºC
• Density: 1.673±0.06 g/ml

Custom Q&A

What is the molecular formula of methyl 4-bromo-3-nitrobenzoate?

The molecular formula of methyl 4-bromo-3-nitrobenzoate is C8H6BrNO4.

What is the molecular weight of methyl 4-bromo-3-nitrobenzoate?

The molecular weight of methyl 4-bromo-3-nitrobenzoate is 260.04 g/mol.

What is the IUPAC name of methyl 4-bromo-3-nitrobenzoate?

The IUPAC name of methyl 4-bromo-3-nitrobenzoate is methyl 4-bromo-3-nitrobenzoate.

What is the InChI of methyl 4-bromo-3-nitrobenzoate?

The InChI of methyl 4-bromo-3-nitrobenzoate is InChI=1S/C8H6BrNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3.

What is the InChIKey of methyl 4-bromo-3-nitrobenzoate?

The InChIKey of methyl 4-bromo-3-nitrobenzoate is BNNDHGPPQZVKMX-UHFFFAOYSA-N.

What is the canonical SMILES of methyl 4-bromo-3-nitrobenzoate?

The canonical SMILES of methyl 4-bromo-3-nitrobenzoate is COC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-].

What is the CAS number of methyl 4-bromo-3-nitrobenzoate?

The CAS number of methyl 4-bromo-3-nitrobenzoate is 2363-16-8.

What is the XLogP3-AA value of methyl 4-bromo-3-nitrobenzoate?

The XLogP3-AA value of methyl 4-bromo-3-nitrobenzoate is 2.3.

What is the topological polar surface area of methyl 4-bromo-3-nitrobenzoate?

The topological polar surface area of methyl 4-bromo-3-nitrobenzoate is 72.1Ų.