4-(4-Bromophenyl)tetrahydropyran - CAS 811828-76-9
Catalog: |
BB036622 |
Product Name: |
4-(4-Bromophenyl)tetrahydropyran |
CAS: |
811828-76-9 |
Synonyms: |
4-(4-bromophenyl)oxane; 4-(4-bromophenyl)oxane |
IUPAC Name: | 4-(4-bromophenyl)oxane |
Description: | 4-(4-Bromophenyl)tetrahydropyran (CAS# 811828-76-9) is a useful research chemical. |
Molecular Weight: | 241.12 |
Molecular Formula: | C11H13BrO |
Canonical SMILES: | C1COCCC1C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C11H13BrO/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10H,5-8H2 |
InChI Key: | JTRPUGBQABMPMD-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 3.34310 |
Publication Number | Title | Priority Date |
AU-2017208119-B2 | 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands | 20160115 |
CA-3011201-A1 | 6,7,8,9-tetrahydro-5h-pyrido[2,3-d]azepine dopamine d3 ligands | 20160115 |
EP-3402796-A1 | 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-d]AZEPINE DOPAMINE D3 LIGANDS | 20160115 |
JP-2019501930-A | 6,7,8,9-tetrahydro-5H-pyrido [2,3-d] azepine dopamine D3 ligand | 20160115 |
KR-20180100432-A | 6,7,8,9-tetrahydro-5H-pyrido [2,3-d] azepine dopamine D3 ligand | 20160115 |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.01498 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.01498 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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