4-bromo-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 814355
• Molecular Formular: C9H10BrN
• Molecular Mass: 212.0864
• Monoisotopic Mass: 210.99966133
• SMILES: C1(Cc2cccc(c2C1)Br)N
• Canonical SMILES: NC1Cc2c(C1)cccc2Br
• InChI: InChI=1S/C9H10BrN/c10-9-3-1-2-6-4-7(11)5-8(6)9/h1-3,7H,4-5,11H2
• InChIKey: JDFSFDXKDBGOEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: 4-bromo-2,3-dihydro-1H-inden-2-amine
• Synonyms: 4-bromo-2,3-dihydro-1H-inden-2-amine

Database IDs

• CAS Number: 1196157-02-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7584967
• LogD (pH = 7.4): -0.1283961
• Log P: 2.2560837
• Molar Refractivity: 49.889 cm^3
• Polarizability: 19.225004 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%