4-chloro-1H-indazol-6-amine

• ChemBase ID: 286944
• Molecular Formular: C7H6ClN3
• Molecular Mass: 167.59564
• Monoisotopic Mass: 167.02502489
• SMILES: Nc1cc2c(c(Cl)c1)cn[nH]2
• Canonical SMILES: Nc1cc(Cl)c2c(c1)[nH]nc2
• InChI: InChI=1S/C7H6ClN3/c8-6-1-4(9)2-7-5(6)3-10-11-7/h1-3H,9H2,(H,10,11)
• InChIKey: CGWACFIMPQAJEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-1H-indazol-6-amine
• IUPAC Traditional name: 4-chloro-1H-indazol-6-amine
• Synonyms: 4-Chloro-1H-indazol-6-amine

Database IDs

• CAS Number: 221681-84-1
• MDL Number: MFCD07781365
• PubChem SID: 180672475
• PubChem CID: 19354435

CALCULATED PROPERTIES

• Acid pKa: 13.974
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0709113
• LogD (pH = 7.4): 1.0714198
• Log P: 1.0714264
• Molar Refractivity: 45.5783 cm^3
• Polarizability: 17.647871 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%