1-bromocyclopent-1-ene

• ChemBase ID: 64282
• Molecular Formular: C5H7Br
• Molecular Mass: 147.01308
• Monoisotopic Mass: 145.97311222
• SMILES: C1(=CCCC1)Br
• Canonical SMILES: BrC1=CCCC1
• InChI: InChI=1S/C5H7Br/c6-5-3-1-2-4-5/h3H,1-2,4H2
• InChIKey: XNHUZSZMXSLTQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromocyclopent-1-ene
• IUPAC Traditional name: 1-bromocyclopent-1-ene
• Synonyms: 1-Bromocyclopentene; 1-Bromocyclopent-1-ene

Database IDs

• CAS Number: 1192-04-7
• MDL Number: MFCD09265517
• PubChem SID: 162030021
• PubChem CID: 10964660

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1064854
• LogD (pH = 7.4): 2.1064854
• Log P: 2.1064854
• Molar Refractivity: 31.8098 cm^3
• Polarizability: 11.719718 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 96+%