5'-bromo-1',2'-dihydrospiro[cyclopropane-1,3'-indole]

• ChemBase ID: 289499
• Molecular Formular: C10H10BrN
• Molecular Mass: 224.0971
• Monoisotopic Mass: 222.99966133
• SMILES: Brc1cc2C3(CC3)CNc2cc1
• Canonical SMILES: Brc1ccc2c(c1)C1(CC1)CN2
• InChI: InChI=1S/C10H10BrN/c11-7-1-2-9-8(5-7)10(3-4-10)6-12-9/h1-2,5,12H,3-4,6H2
• InChIKey: ZAXSHDQOFNHDIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5'-bromo-1',2'-dihydrospiro[cyclopropane-1,3'-indole]
• IUPAC Traditional name: 5'-bromo-1',2'-dihydrospiro[cyclopropane-1,3'-indole]
• Synonyms: 5'-Bromospiro[cyclopropane-1,3'-indoline]

Database IDs

• CAS Number: 1260763-03-8
• PubChem SID: 180675030
• PubChem CID: 57345830

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5121303
• LogD (pH = 7.4): 2.5336316
• Log P: 2.533913
• Molar Refractivity: 54.2517 cm^3
• Polarizability: 20.050472 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%