1-Chloro-2,3-indoledione

CAT: 0127-OR1043847Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1043847Size:5 g

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CAS Number

2959-03-7

Synonyms

Chloroisatin

Purity

95%

Chemical Information

1-Chloro-2,3-indoledione

CAS Number	2959-03-7
PubChem CID	137777
IUPAC Name	1-chloroindole-2,3-dione
Molecular Formula	C8H4ClNO2
Molecular Weight	181.57
XLogP	1.5
Topological Polar Surface Area	37.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	241

SMILES

C1=CC=C2C(=C1)C(=O)C(=O)N2Cl

InChI

InChI=1S/C8H4ClNO2/c9-10-6-4-2-1-3-5(6)7(11)8(10)12/h1-4H

InChIKey

ZGPFGHSOYPBCGI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2959-03-7

CID: 137777

Formula: C8H4ClNO2

MW: 181.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.57
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	180.9930561
Monoisotopic Mass	180.9930561
Topological Polar Surface Area	37.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	241
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
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