Methyl 8-Bromo-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxylate - CAS 497224-09-6
Catalog: |
BB026808 |
Product Name: |
Methyl 8-Bromo-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxylate |
CAS: |
497224-09-6 |
Synonyms: |
(5E)-8-bromo-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylic acid methyl ester; methyl (5E)-8-bromo-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylate |
IUPAC Name: | methyl 8-bromo-1,2,3,4-tetrahydro-1-benzazocine-5-carboxylate |
Description: | Methyl 8-Bromo-1,2,3,4-tetrahydrobenzo[b]azocine-5-carboxylate (CAS# 497224-09-6 ) is a useful research chemical. |
Molecular Weight: | 296.16 |
Molecular Formula: | C13H14BrNO2 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=CC(=C2)Br)NCCC1 |
InChI: | InChI=1S/C13H14BrNO2/c1-17-13(16)9-3-2-6-15-12-5-4-11(14)8-10(12)7-9/h4-5,7-8,15H,2-3,6H2,1H3/b9-7+ |
InChI Key: | FLKNFDBWJDHMOC-VQHVLOKHSA-N |
Publication Number | Title | Priority Date |
EP-1889839-A1 | Bicyclic compound, production and use as HIV inhibitors | 20010808 |
EP-1889839-B1 | Bicyclic compound, production and use as HIV inhibitors | 20010808 |
EP-2206702-A1 | Bicyclic compound, production and use thereof | 20010808 |
JP-2007084578-A | Bicyclic compounds, their production and use | 20010808 |
JP-2009209154-A | Bicyclic compounds, their production and use | 20010808 |
Complexity: | 317 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.02079 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.02079 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 3.3 |
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