2-Chloro-1-(1-indolyl)ethanone - CAS 61995-53-7
Catalog: |
BB031369 |
Product Name: |
2-Chloro-1-(1-indolyl)ethanone |
CAS: |
61995-53-7 |
Synonyms: |
2-chloro-1-(1-indolyl)ethanone; 2-chloro-1-indol-1-ylethanone |
IUPAC Name: | 2-chloro-1-indol-1-ylethanone |
Description: | 2-Chloro-1-(1-indolyl)ethanone (CAS# 61995-53-7 ) is a useful research chemical. |
Molecular Weight: | 193.63 |
Molecular Formula: | C10H8ClNO |
Canonical SMILES: | C1=CC=C2C(=C1)C=CN2C(=O)CCl |
InChI: | InChI=1S/C10H8ClNO/c11-7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-6H,7H2 |
InChI Key: | FGOZRGMJVCIVKG-UHFFFAOYSA-N |
LogP: | 2.52030 |
Publication Number | Title | Priority Date |
US-2020248273-A1 | Treatment of squamous cell carcinoma | 20180807 |
US-2019177411-A1 | Methods of Detecting and Treating a Tumor Expressing PT346 PDK1 | 20160807 |
EP-3091984-A1 | Substituted benzoxazine and related compounds | 20140109 |
EP-3091984-B1 | Substituted benzoxazine and related compounds | 20140109 |
JP-2017502073-A | Substituted benzoxazines and related compounds | 20140109 |
Complexity: | 207 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0294416 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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