4,5-Dichloro-1H-indole-2-carboxylic Acid - CAS 231295-84-4
Catalog: |
BB017933 |
Product Name: |
4,5-Dichloro-1H-indole-2-carboxylic Acid |
CAS: |
231295-84-4 |
Synonyms: |
4,5-dichloro-1H-indole-2-carboxylic acid; 4,5-dichloro-1H-indole-2-carboxylic acid |
IUPAC Name: | 4,5-dichloro-1H-indole-2-carboxylic acid |
Description: | 4,5-Dichloro-1H-indole-2-carboxylic Acid (CAS# 231295-84-4) is a useful research chemical. |
Molecular Weight: | 230.05 |
Molecular Formula: | C9H5Cl2NO2 |
Canonical SMILES: | C1=CC(=C(C2=C1NC(=C2)C(=O)O)Cl)Cl |
InChI: | InChI=1S/C9H5Cl2NO2/c10-5-1-2-6-4(8(5)11)3-7(12-6)9(13)14/h1-3,12H,(H,13,14) |
InChI Key: | STMAOBOTFAMOLD-UHFFFAOYSA-N |
LogP: | 3.17290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020243135-A1 | Fused heterocyclic derivatives | 20190528 |
AU-2009322774-A1 | Inhibitors of diacylglycerol acyltransferase | 20081203 |
EP-2367817-A1 | Inhibitors of diacylglycerol acyltransferase | 20081203 |
JP-2012510515-A | Inhibitors of diacylglycerol acyltransferase | 20081203 |
US-2010145047-A1 | Inhibitors of diacylglycerol acyltransferase | 20081203 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.9697338 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.9697338 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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