CAS 118307-04-3|6-chloro-5-(2-chloroacetyl)indolin-2-one|6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one|6-chloro-5-(2-chloroacetyl)-2,3-dihydro-1H-indol-2-one|6-Chloro-5-chloroacetyl-2-oxoindoli...

General Information

Structure

Molecular Formula

C₁₀H₇Cl₂NO₂

Molecular Mass

244.07408

Exact Mass

242.98538383

Charge

InChI

InChI=1S/C10H7Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15)

InChIKey

LWWVMDRRHHCTMZ-UHFFFAOYSA-N

Canonic Smiles

ClCC(=O)c1cc2CC(=O)Nc2cc1Cl

Isomeric Smiles

N1c2c(cc(c(c2)Cl)C(=O)CCl)CC1=O

Calculated Properties

JChem

Acid pKa

11.389984

H Acceptors

H Donor

LogD (pH = 5.5)

1.7710856

LogD (pH = 7.4)

1.7710419

Log P

1.7710862

Molar Refractivity

59.5457

Polarizability

22.039127

Polar Surface Area

46.17

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

6-chloro-5-(2-chloroacetyl)indolin-2-one6-Chloro-5-chloroacetyl-2-oxoindoline5-Chloroacetyl-6-chloro-1,3-dihydroindol-2H-indone-2-one5-(2-Chloroacetyl)-6-chloro-2-oxindole5-CHLOROACETYL-6-CHLOROOXINDOLE6-Chloro-5-(chloroacetyl)-1,3-dihydro-2H-indol-2-one 97%

IUPAC name

6-chloro-5-(2-chloroacetyl)-2,3-dihydro-1H-indol-2-one

IUPAC Traditional name

6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one

Names and Identifiers

Registration numbers

CAS Number

118307-04-3

MDL Number

MFCD04115735

PubChem CID

3730946