4-Bromo-7-methoxyindolin-2-one

CAT: 0926-MWB26204-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-MWB26204-01Size:50 mg

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CAS Number

1162262-04-5

MDL Number

MFCD12910508

Smiles

COC1=C2C (=C (C=C1) Br) CC (=O) N2

Molecular Formula

C9H8BrNO2

Molecular Weight

242.07 g/mol

Controlled

Chemical Information

4-Bromo-7-methoxyindolin-2-one

CAS Number	1162262-04-5
PubChem CID	52180855
IUPAC Name	4-bromo-7-methoxy-1,3-dihydroindol-2-one
Molecular Formula	C9H8BrNO2
Molecular Weight	242.07
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=C2C(=C(C=C1)Br)CC(=O)N2

InChI

InChI=1S/C9H8BrNO2/c1-13-7-3-2-6(10)5-4-8(12)11-9(5)7/h2-3H,4H2,1H3,(H,11,12)

InChIKey

ZUBWLSZCSDOILE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1162262-04-5

CID: 52180855

Formula: C9H8BrNO2

MW: 242.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	242.07
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	240.97384
Monoisotopic Mass	240.97384
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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Catalog	Name
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