7-Chloro-4-methoxyindolin-2-one

CAT: 0127-OR1071611-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1071611-01Size:50 mg

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CAS Number

1368597-34-5

MDL Number

MFCD21961293

Purity

95%

Smiles

O=C1NC2=C(C1)C(OC)=CC=C2Cl

Chemical Information

7-Chloro-4-methoxyindolin-2-one

CAS Number	1368597-34-5
PubChem CID	79604110
IUPAC Name	7-chloro-4-methoxy-1,3-dihydroindol-2-one
Molecular Formula	C9H8ClNO2
Molecular Weight	197.62
XLogP	1.4
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	222

SMILES

COC1=C2CC(=O)NC2=C(C=C1)Cl

InChI

InChI=1S/C9H8ClNO2/c1-13-7-3-2-6(10)9-5(7)4-8(12)11-9/h2-3H,4H2,1H3,(H,11,12)

InChIKey

HJDOLGDOXJAESD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1368597-34-5

CID: 79604110

Formula: C9H8ClNO2

MW: 197.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	197.62
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	197.0243562
Monoisotopic Mass	197.0243562
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	222
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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