2-amino-4-bromobenzamide

• ChemBase ID: 814509
• Molecular Formular: C7H7BrN2O
• Molecular Mass: 215.04728
• Monoisotopic Mass: 213.97417485
• SMILES: c1(c(cc(cc1)Br)N)C(=O)N
• Canonical SMILES: Brc1ccc(c(c1)N)C(=O)N
• InChI: InChI=1S/C7H7BrN2O/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H2,10,11)
• InChIKey: OFXMSVAQRRUVHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-bromobenzamide
• IUPAC Traditional name: 2-amino-4-bromobenzamide
• Synonyms: 2-amino-4-bromobenzamide

Database IDs

• CAS Number: 112253-70-0

CALCULATED PROPERTIES

• Acid pKa: 14.737079
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4135703
• LogD (pH = 7.4): 1.413711
• Log P: 1.4137127
• Molar Refractivity: 47.4596 cm^3
• Polarizability: 17.224888 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%