2-Bromo-4-nitrobenzoic acid

• CAS: 16426-64-5
• Catalog Number: ACM16426645
• Category: Bromine Series
• Molecular Weight: 246.02
• Molecular Formula: C₇H₄NO₄Br
• Synonyms: 2-Bromo-4-nitrobenzoic acid, AIDS019400, AIDS-019400, NSC227965, 16426-64-5
• IUPAC Name: 2-bromo-4-nitrobenzoic acid
• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)C(=O)O
• InChI Key: CEXGTXNIIFSPSF-UHFFFAOYSA-N
• Boiling Point: 381.6ºC at 760 mmHg
• Melting Point: 165-168ºC
• Flash Point: 184.6ºC
• Density: 1.892
• Appearance: light brown solid
• Exact Mass: 244.93200
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Custom Q&A

What is the PubChem CID of 2-Bromo-4-nitrobenzoic acid?

The PubChem CID of 2-Bromo-4-nitrobenzoic acid is 313534.

What is the molecular formula of 2-Bromo-4-nitrobenzoic acid?

The molecular formula of 2-Bromo-4-nitrobenzoic acid is C7H4BrNO4.

What is the molecular weight of 2-Bromo-4-nitrobenzoic acid?

The molecular weight of 2-Bromo-4-nitrobenzoic acid is 246.01 g/mol.

What is the CAS number of 2-Bromo-4-nitrobenzoic acid?

The CAS number of 2-Bromo-4-nitrobenzoic acid is 16426-64-5.

What is the InChI of 2-Bromo-4-nitrobenzoic acid?

The InChI of 2-Bromo-4-nitrobenzoic acid is InChI=1S/C7H4BrNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11).

What is the InChIKey of 2-Bromo-4-nitrobenzoic acid?

The InChIKey of 2-Bromo-4-nitrobenzoic acid is CEXGTXNIIFSPSF-UHFFFAOYSA-N.

What is the XLogP3 value of 2-Bromo-4-nitrobenzoic acid?

The XLogP3 value of 2-Bromo-4-nitrobenzoic acid is 2.1.

How many hydrogen bond donor count does 2-Bromo-4-nitrobenzoic acid have?

2-Bromo-4-nitrobenzoic acid has 1 hydrogen bond donor count.

How many hydrogen bond acceptor count does 2-Bromo-4-nitrobenzoic acid have?

2-Bromo-4-nitrobenzoic acid has 4 hydrogen bond acceptor count.

How many rotatable bond count does 2-Bromo-4-nitrobenzoic acid have?

2-Bromo-4-nitrobenzoic acid has 1 rotatable bond count.