4-Chloroindolin-2-one - CAS 20870-77-3

Catalog:	BB016361
Product Name:	4-Chloroindolin-2-one
CAS:	20870-77-3
Synonyms:	4-chloro-1,3-dihydroindol-2-one; 4-chloro-1,3-dihydroindol-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-1,3-dihydroindol-2-one
Description:	4-Chloroindolin-2-one (CAS# 20870-77-3) is a useful research chemical.
Molecular Weight:	167.59
Molecular Formula:	C8H6ClNO
Canonical SMILES:	C1C2=C(C=CC=C2Cl)NC1=O
InChI:	InChI=1S/C8H6ClNO/c9-6-2-1-3-7-5(6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChI Key:	XNSPDJAXCBZCRV-UHFFFAOYSA-N
Boiling Point:	340.3 °C at 760 mmHg
Density:	1.362 g/cm³
MDL:	MFCD03787567
LogP:	1.97260

Publication Number	Title	Priority Date
CN-106478486-A	A kind of Î² hydroxyl alpha amino acid ester derivant and its synthetic method and application	20160918
CN-106478486-B	A kind of beta-hydroxy-alpha-amino acid ester derivant and its synthetic method and application	20160918
US-10618897-B2	Spiroindolinones as DDR1 inhibitors	20160208
US-2019071444-A1	Spiroindolinones as ddr1 inhibitors	20160208
EP-3414247-B1	Spiroindolinones as ddr1 inhibitors	20160208

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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0137915
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.0137915
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4