3-Acetyl-5-chloroindole - CAS 51843-24-4
Catalog: |
BB027627 |
Product Name: |
3-Acetyl-5-chloroindole |
CAS: |
51843-24-4 |
Synonyms: |
1-(5-chloro-1H-indol-3-yl)ethanone; 1-(5-chloro-1H-indol-3-yl)ethanone |
IUPAC Name: | 1-(5-chloro-1H-indol-3-yl)ethanone |
Description: | 3-Acetyl-5-chloroindole (CAS# 51843-24-4) is a useful research chemical. |
Molecular Weight: | 193.63 |
Molecular Formula: | C10H8ClNO |
Canonical SMILES: | CC(=O)C1=CNC2=C1C=C(C=C2)Cl |
InChI: | InChI=1S/C10H8ClNO/c1-6(13)9-5-12-10-3-2-7(11)4-8(9)10/h2-5,12H,1H3 |
InChI Key: | LEUBXJIHEAWOHZ-UHFFFAOYSA-N |
Boiling Point: | 367.9 °C at 760 mmHg |
Density: | 1.332 g/cm3 |
MDL: | MFCD07437837 |
LogP: | 3.02390 |
Publication Number | Title | Priority Date |
CN-113185503-A | Natural product Pimpirinine derivative and preparation method and application thereof | 20210412 |
WO-2020228642-A1 | Crystallization of smac mimic used as iap inhibitor and preparation method thereof | 20190510 |
EP-3712162-A1 | Smac mimetics used as iap inhibitors and use thereof | 20171113 |
US-2006063938-A1 | Compounds to treat hiv infection and aids | 20011207 |
WO-03049695-A2 | Compounds to treat hiv infection and aids | 20011207 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0294416 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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