CAS 56341-37-8|6-Chloroindolin-2-one|6-chloro-1,3-dihydroindol-2-one|6-Chloro-1,3-dihydro-2H-indol-2-one|6-Chloro-2-oxindole 98%|6-氯氧化吲哚|6-Chlorooxindole|6-Chloro-2-oxindole|6-氯羟吲哚|6-氯羟基...

General Information

Structure

Molecular Formula

C₈H₆ClNO

Molecular Mass

167.59234

Exact Mass

167.0137915

Charge

InChI

InChI=1S/C8H6ClNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)

InChIKey

CENVPIZOTHULGJ-UHFFFAOYSA-N

Canonic Smiles

O=C1Cc2c(N1)cc(cc2)Cl

Isomeric Smiles

N1c2cc(ccc2CC1=O)Cl

Calculated Properties

JChem

Acid pKa

11.932064

H Acceptors

H Donor

LogD (pH = 5.5)

1.6760947

LogD (pH = 7.4)

1.6760821

Log P

1.6760949

Molar Refractivity

44.3897

Polarizability

16.36473

Polar Surface Area

29.1

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

6-Chloroindolin-2-one6-Chloro-2-oxindole 98%6-Chloro-1,3-dihydro-2H-indol-2-one6-氯氧化吲哚6-氯羟吲哚6-Chloro-2-oxindole6-Chlorooxindole6-氯羟基吲哚6-Chloro-2-indolinone6-Chlorooxindole6-Chlorooxindole6-chloroindolin-2-one6-chloro-2,3-dihydro-1H-indol-2-one

IUPAC Traditional name

6-chloro-1,3-dihydroindol-2-one

IUPAC name

6-chloro-2,3-dihydro-1H-indol-2-one

Names and Identifiers

Registration numbers

CAS Number

56341-37-8

MDL Number

MFCD00209962

PubChem SID

24882761162043114