3-Bromo-5-chlorobenzoic acid

• CAS: 42860-02-6
• Catalog Number: ACM42860026
• Category: Bromine Series
• Molecular Weight: 235.46g/mol
• Molecular Formula: C7H4BrClO2
• Synonyms: 3-BROMO-5-CHLOROBENZOIC ACID;3-Bromo-5-chlorobenzoic acid 98%;Benzoic acid,3-broMo-5-chloro-
• IUPAC Name: 3-bromo-5-chlorobenzoic acid
• Canonical SMILES: C1=C(C=C(C=C1Cl)Br)C(=O)O
• InChI: InChI=1S/C7H4BrClO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
• InChI Key: PBRRUJWXRUGGAW-UHFFFAOYSA-N
• Melting Point: 190-192
• Density: 1.809
• Complexity: 163
• Covalently-Bonded Unit Count: 1
• Exact Mass: 233.90832g/mol
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 11
• Monoisotopic Mass: 233.90832g/mol
• Rotatable Bond Count: 1
• XLogP3: 2.9

Custom Q&A

What is the molecular formula of 3-Bromo-5-chlorobenzoic acid?

The molecular formula of 3-Bromo-5-chlorobenzoic acid is C7H4BrClO2.

What is the molecular weight of 3-Bromo-5-chlorobenzoic acid?

The molecular weight of 3-Bromo-5-chlorobenzoic acid is 235.46 g/mol.

What is the IUPAC name of 3-Bromo-5-chlorobenzoic acid?

The IUPAC name of 3-Bromo-5-chlorobenzoic acid is 3-bromo-5-chlorobenzoic acid.

What is the InChI of 3-Bromo-5-chlorobenzoic acid?

The InChI of 3-Bromo-5-chlorobenzoic acid is "InChI=1S/C7H4BrClO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)".

What is the InChIKey of 3-Bromo-5-chlorobenzoic acid?

The InChIKey of 3-Bromo-5-chlorobenzoic acid is "PBRRUJWXRUGGAW-UHFFFAOYSA-N".

What is the canonical SMILES of 3-Bromo-5-chlorobenzoic acid?

The canonical SMILES of 3-Bromo-5-chlorobenzoic acid is "C1=C(C=C(C=C1Cl)Br)C(=O)O".

What is the CAS number of 3-Bromo-5-chlorobenzoic acid?

The CAS number of 3-Bromo-5-chlorobenzoic acid is 42860-02-6.

What is the XLogP3 value of 3-Bromo-5-chlorobenzoic acid?

The XLogP3 value of 3-Bromo-5-chlorobenzoic acid is 2.9.

Is 3-Bromo-5-chlorobenzoic acid a canonicalized compound?

Yes, 3-Bromo-5-chlorobenzoic acid is a canonicalized compound.