5-(Trifluoromethyl)indolin-2-one - CAS 71293-62-4
Catalog: |
BB034350 |
Product Name: |
5-(Trifluoromethyl)indolin-2-one |
CAS: |
71293-62-4 |
Synonyms: |
5-(trifluoromethyl)-1,3-dihydroindol-2-one; 5-(trifluoromethyl)-1,3-dihydroindol-2-one |
IUPAC Name: | 5-(trifluoromethyl)-1,3-dihydroindol-2-one |
Description: | 5-(Trifluoromethyl)indolin-2-one (CAS# 71293-62-4) is a useful reagent for the preparation of 3-Chloro-α-carbolines. |
Molecular Weight: | 201.15 |
Molecular Formula: | C9H6F3NO |
Canonical SMILES: | C1C2=C(C=CC(=C2)C(F)(F)F)NC1=O |
InChI: | InChI=1S/C9H6F3NO/c10-9(11,12)6-1-2-7-5(3-6)4-8(14)13-7/h1-3H,4H2,(H,13,14) |
InChI Key: | RANTVMNWZIWPNR-UHFFFAOYSA-N |
Boiling Point: | 283.4 °C at 760 mmHg |
Density: | 1.391 g/cm3 |
Appearance: | Pale-yellow to yellow-brown solid |
LogP: | 2.33800 |
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 |
AU-2012240018-A1 | New indolinone protein kinase inhibitors | 20110408 |
CA-2831474-A1 | New indolinone protein kinase inhibitors | 20110408 |
EP-2694058-A2 | New indolinone protein kinase inhibitors | 20110408 |
EP-2694058-B1 | New indolinone protein kinase inhibitors | 20110408 |
JP-2014515745-A | Novel indolinone protein kinase inhibitor | 20110408 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.04014830 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.04014830 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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