5-(2-Chloroacetyl)indolin-2-one - CAS 65435-04-3
Catalog: |
BB032730 |
Product Name: |
5-(2-Chloroacetyl)indolin-2-one |
CAS: |
65435-04-3 |
Synonyms: |
5-(2-chloro-1-oxoethyl)-1,3-dihydroindol-2-one; 5-(2-chloroacetyl)-1,3-dihydroindol-2-one |
IUPAC Name: | 5-(2-chloroacetyl)-1,3-dihydroindol-2-one |
Description: | 5-(2-Chloroacetyl)indolin-2-one (CAS# 65435-04-3) is an intermediate used to prepare [(dihydrooxoindolylidene)methyl]pyrrolepropanoic acid and pyrido[2,3-d]pyrimidine as tyrosine kinase inhibitors. |
Molecular Weight: | 209.63 |
Molecular Formula: | C10H8ClNO2 |
Canonical SMILES: | C1C2=C(C=CC(=C2)C(=O)CCl)NC1=O |
InChI: | InChI=1S/C10H8ClNO2/c11-5-9(13)6-1-2-8-7(3-6)4-10(14)12-8/h1-3H,4-5H2,(H,12,14) |
InChI Key: | WXJWBEAGVWVEDM-UHFFFAOYSA-N |
Boiling Point: | 460.8 °C at 760 mmHg |
Density: | 1.361 g/cm3 |
MDL: | MFCD04115734 |
LogP: | 1.74070 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112961150-A | Impurities in ziprasidone hydrochloride and preparation method thereof | 20210204 |
WO-2020061231-A1 | Treatment for obesity | 20180918 |
WO-2020061232-A1 | Treatment for non-alcoholic fatty liver disease | 20180918 |
EP-3852753-A1 | Treatment for non-alcoholic fatty liver disease | 20180918 |
EP-3852754-A1 | Treatment for obesity | 20180918 |
Complexity: | 267 |
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: | 2 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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