Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 5   > 5-bromo-8-methoxy-3,3-dimethyl-3,4-dihydroisoquinoline
417725-91-8 structure

5-bromo-8-methoxy-3,3-dimethyl-3,4-dihydroisoquinoline

Iupac Name:methyl 2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetate
CAS No.:417725-91-8
Molecular Weight:265.309
Molecular Formula:C13H17FN2O (isomer)
Names and Identifiers
Synonyms

1257243-48-3

Inchi
InChI=1S/C14H19NO4/c1-17-12-6-9-4-5-15-11(8-14(16)19-3)10(9)7-13(12)18-2/h6-7,11,15H,4-5,8H2,1-3H3/t11-/m0/s1
InChkey
NVXHORURRXLOGZ-NSHDSACASA-N
Canonical Smiles
COC1=C(C=C2C(NCCC2=C1)CC(=O)OC)OC
Computational chemical data
  • Molecular Weight:265.309g/mol
  • Molecular Formula:C13H17FN2O
  • Compound Is Canonicalized:True
  • Exact Mass:265.131
  • Monoisotopic Mass:265.131
  • Complexity:310
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:56.8A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceByOAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACxAAAAHgAQAAAADCzBmAYyDoLABACI AiDSCACCCAAgIAAAiIEOjIgNJjqEsRuEMCpm0BGKqAe42LOOoAABAAAQQABAAAIAACCAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:1-631-5046093
  • Fax:1-631-6147828
Recommended Suppliers
  • Tel:86-21-15301650010
  • Fax:86-21-61263399
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
<