4-Chloro-2-oxindole

CAT: 0127-OR2754-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR2754-01Size:1 g

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CAS Number

20870-77-3

Synonyms

4-Chloro-1,3-dihydro-2H-indol-2-one, 4-Chloroindolin-2-one

MDL Number

MFCD03787567

Purity

98%

Smiles

Clc1cccc2NC(=O)Cc12

Storage Conditions

Store at 2-8°C

Chemical Information

4-Chloro-1,3-dihydro-2H-indol-2-one

CAS Number	20870-77-3
PubChem CID	1480686
IUPAC Name	4-chloro-1,3-dihydroindol-2-one
Molecular Formula	C8H6ClNO
Molecular Weight	167.59
XLogP	1.4
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	183

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)

InChIKey

XNSPDJAXCBZCRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20870-77-3

CID: 1480686

Formula: C8H6ClNO

MW: 167.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.59
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	167.0137915
Monoisotopic Mass	167.0137915
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-254813	5-Chloro-2-oxindole
sc-233673	7-Chloro-2-oxindole
sc-256981	6-Chloro-2-oxindole
TRC-B310460-25MG	4-Bromo-5-chloro-7-aza-2-oxindole
TRC-C375055-250MG	5-Chloro-2-oxindole-1-carboxamide
HY-W009666-01	6-Chloro-5- (2-chloroethyl) oxindole
438391-01	6-Chloro-5-fluoro-2-oxindole
234108-01	5-Chloro-2-oxindole 98+% (HPLC)
MBS6060947-01	6-Chloro-5-(2-chloroethyl)oxindole
sc-495882	Methyl 2-oxindole-4-carboxylate