6-Chloro-1-methyl-1H-indole-2-carboxylic acid - CAS 680569-83-9
Catalog: |
BB033465 |
Product Name: |
6-Chloro-1-methyl-1H-indole-2-carboxylic acid |
CAS: |
680569-83-9 |
Synonyms: |
6-chloro-1-methylindole-2-carboxylic acid |
IUPAC Name: | 6-chloro-1-methylindole-2-carboxylic acid |
Description: | 6-Chloro-1-methyl-1H-indole-2-carboxylic acid (CAS# 680569-83-9) is a useful research chemical. |
Molecular Weight: | 209.63 |
Molecular Formula: | C10H8ClNO2 |
Canonical SMILES: | CN1C(=CC2=C1C=C(C=C2)Cl)C(=O)O |
InChI: | InChI=1S/C10H8ClNO2/c1-12-8-5-7(11)3-2-6(8)4-9(12)10(13)14/h2-5H,1H3,(H,13,14) |
InChI Key: | BMHTUBVXMTYFAS-UHFFFAOYSA-N |
Boiling Point: | 420.6 °C at 760 mmHg |
Density: | 1.39 g/cm3 |
LogP: | 2.52990 |
Publication Number | Title | Priority Date |
EP-3074400-B1 | Octahydro-cyclobuta [1,2-c;3,4-c']dipyrrole derivatives as autotaxin inhibitors | 20131126 |
ES-2656198-T3 | Octahydro-cyclobuta [1,2-c; 3,4-c '] dipyrrole derivatives as autotaxin inhibitors | 20131126 |
US-2018280352-A1 | OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL | 20131126 |
US-10849881-B2 | Octahydro-cyclobuta[1,2-c;3,4-c′]dipyrrol-2-yl | 20131126 |
US-2012101105-A1 | Aryl substituted carboxamide derivatives as calcium or sodium channel blockers | 20090529 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0243562 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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