Brombenperidol

Base Information

• Chemical Name: Brombenperidol
• CAS No.: 91433-73-7
• Molecular Formula: C22H23 Br F N3 O2
• Molecular Weight: 458.3213232
• DSSTox Substance ID: DTXSID20238565
• Wikidata: Q83120863
• Mol file: 91433-73-7.mol

Synonyms:75Br-brombenperidol;77Br-brombenperidol;brombenperidol

Chemical Property of Brombenperidol

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 47.24000
• Density: 1.452g/cm³
• LogP: 4.33800
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 457.09881
• Heavy Atom Count: 29
• Complexity: 591

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1N2C3=CC=CC=C3N(C2=O)Br)CCCC(=O)C4=CC=C(C=C4)F
• Isomeric SMILES: C1CN(CCC1N2C3=CC=CC=C3N(C2=O)[77Br])CCCC(=O)C4=CC=C(C=C4)F

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