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7-Amino-3-(3-bromopropoxy)-4-chloro-1H-2-benzopyran-1-one

Base Information
  • Chemical Name:7-Amino-3-(3-bromopropoxy)-4-chloro-1H-2-benzopyran-1-one
  • CAS No.:113251-20-0
  • Molecular Formula:C12H11BrClNO3
  • Molecular Weight:332.581
  • Hs Code.:
  • ChEMBL ID:CHEMBL153587
  • DSSTox Substance ID:DTXSID20567084
  • Nikkaji Number:J658.212E
  • Wikidata:Q82452868
  • Mol file:113251-20-0.mol
7-Amino-3-(3-bromopropoxy)-4-chloro-1H-2-benzopyran-1-one

Synonyms:113251-20-0;Isocoumarin, 6b;CHEMBL153587;SCHEMBL5904422;BDBM81612;DTXSID20567084;FXUBMQXLZFGMFG-UHFFFAOYSA-N;7-Amino-3-(3-bromopropoxy)-4-chloro-1H-2-benzopyran-1-one;7-amino-3-(3-bromopropoxy)-4-chloro-1 h -isochromen-1-one;7-Amino-3-(3-bromopropyloxy)-4-chloro-1H-2-benzopyran-1-one

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Chemical Property of 7-Amino-3-(3-bromopropoxy)-4-chloro-1H-2-benzopyran-1-one
Chemical Property:
  • XLogP3:2.9
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:4
  • Exact Mass:330.96108
  • Heavy Atom Count:18
  • Complexity:361
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC2=C(C=C1N)C(=O)OC(=C2Cl)OCCCBr
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