7-bromo-1H-indol-5-amine

• ChemBase ID: 61530
• Molecular Formular: C8H7BrN2
• Molecular Mass: 211.05858
• Monoisotopic Mass: 209.97926023
• SMILES: c1(cc(c2c(c1)cc[nH]2)Br)N
• Canonical SMILES: Nc1cc(Br)c2c(c1)cc[nH]2
• InChI: InChI=1S/C8H7BrN2/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,11H,10H2
• InChIKey: IDSDTLAEQBFCMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-1H-indol-5-amine
• IUPAC Traditional name: 7-bromo-1H-indol-5-amine
• Synonyms: 7-Bromo-1H-indol-5-amine

Database IDs

• CAS Number: 196205-07-9
• MDL Number: MFCD09753942
• PubChem SID: 162027271
• PubChem CID: 15434500

CALCULATED PROPERTIES

• LogD (pH = 5.5): 2.0107791
• LogD (pH = 7.4): 2.0118213
• Log P: 2.0118344
• Molar Refractivity: 49.4677 cm^3
• Polarizability: 19.371239 Å^3
• Polar Surface Area: 41.81 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 16.490845
• H Acceptors: 1
• H Donor: 2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false