5-Bromo-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-3-acetic Acid - CAS 393509-23-4
Catalog: |
BB023943 |
Product Name: |
5-Bromo-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-3-acetic Acid |
CAS: |
393509-23-4 |
Synonyms: |
2-(5-bromo-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid; 2-(5-bromo-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid |
IUPAC Name: | 2-(5-bromo-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid |
Description: | 5-Bromo-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-3-acetic Acid (CAS# 393509-23-4 ) is a useful research chemical. |
Molecular Weight: | 312.13 |
Molecular Formula: | C13H11BrFNO2 |
Canonical SMILES: | C1CC2=C(C1CC(=O)O)NC3=C(C=C(C=C23)F)Br |
InChI: | InChI=1S/C13H11BrFNO2/c14-10-5-7(15)4-9-8-2-1-6(3-11(17)18)12(8)16-13(9)10/h4-6,16H,1-3H2,(H,17,18) |
InChI Key: | UFDLKQSJWWUVOQ-UHFFFAOYSA-N |
LogP: | 3.57400 |
Publication Number | Title | Priority Date |
AU-2006236939-A1 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | 20050413 |
CA-2603757-A1 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | 20050413 |
EP-1874301-A1 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | 20050413 |
JP-2008536846-A | Niacin receptor agonists, compositions containing such compounds and methods of treatment | 20050413 |
US-2009054423-A1 | Niacin receptor agonists, compositions containing such compounds and methods of treatment | 20050413 |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.99572 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.99572 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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