Methyl 5-Bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate - CAS 1219170-24-7
Catalog: |
BB005297 |
Product Name: |
Methyl 5-Bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate |
CAS: |
1219170-24-7 |
Synonyms: |
5-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester; methyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate |
IUPAC Name: | methyl 5-bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate |
Description: | Methyl 5-Bromo-1,2,3,4-tetrahydroisoquinoline-3-carboxylate (CAS# 1219170-24-7 ) is a useful research chemical. |
Molecular Weight: | 270.12 |
Molecular Formula: | C11H12BrNO2 |
Canonical SMILES: | COC(=O)C1CC2=C(CN1)C=CC=C2Br |
InChI: | InChI=1S/C11H12BrNO2/c1-15-11(14)10-5-8-7(6-13-10)3-2-4-9(8)12/h2-4,10,13H,5-6H2,1H3 |
InChI Key: | FCAFKZZXSROWTA-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
LogP: | 1.96520 |
Publication Number | Title | Priority Date |
AU-2010311321-A1 | Novel oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors | 20091030 |
AU-2010311321-B2 | Novel oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors | 20091030 |
CA-2779073-A1 | Novel oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors | 20091030 |
CN-102812014-B | The purposes of novel 9 oxime derivate and the allosteric modulators as metabotropic glutamate receptor thereof | 20091030 |
EP-2493871-A1 | Novel oxime derivatives and their use as allosteric modulators of metabotropic glutamate receptors | 20091030 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.00514 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.00514 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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