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195986-87-9,MFCD07369917
Catalog No.:AA007R3C

195986-87-9 | 7-Bromo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine

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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007R3C
Chemical Name:
7-Bromo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine
CAS Number:
195986-87-9
Molecular Formula:
C9H11BrN2
Molecular Weight:
227.1010
MDL Number:
MFCD07369917
SMILES:
Brc1ccc2c(c1)CNCCN2
Properties
Computed Properties
 
Complexity:
152  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
XLogP3:
1.7  

Downstream Synthesis Route
1979-29-9    195986-87-9   
(7-bromo-1,2,3,5-tetrahydro-benzo<i>e</i>1,4diazepin-4-yl)-(2-trifluoromethoxy-phenyl)-methanone 

[1]JournalofMedicinalChemistry,1999,vol.42,p.5241-5253

[1]MedChemComm,2016,vol.7,p.1957-1965

[2]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2002,vol.41,p.871-874

[3]JournalofMedicinalChemistry,1999,vol.42,p.5241-5253

[4]Patent:US2004/9970,2004,A1.Locationinpatent:Page/Pagecolumn13-14

Literature
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SDS
Tags:195986-87-9 Molecular Formula|195986-87-9 MDL|195986-87-9 SMILES|195986-87-9 7-Bromo-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine