6-Bromo-2-oxindole

CAT: 0926-FB19101-01Size: 0.025 kgDry Ice: NoHazardous: No

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CAT#:0926-FB19101-01Size:0.025 kg

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CAS Number

99365-40-9

Synonyms

6-Bromo-1,3-dihydro-2H-indol-2-one; 6-Bromo-1,3-dihydroindol-2-one

MDL Number

MFCD02179605

Smiles

C1C2=C (C=C (C=C2) Br) NC1=O

Molecular Formula

C8H6BrNO

Molecular Weight

212.04 g/mol

Controlled

Chemical Information

6-bromo-2,3-dihydro-1H-indol-2-one

CAS Number	99365-40-9
PubChem CID	2773289
IUPAC Name	6-bromo-1,3-dihydroindol-2-one
Molecular Formula	C8H6BrNO
Molecular Weight	212.04
XLogP	1.9
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=C(C=C2)Br)NC1=O

InChI

InChI=1S/C8H6BrNO/c9-6-2-1-5-3-8(11)10-7(5)4-6/h1-2,4H,3H2,(H,10,11)

InChIKey

JARRYVQFBQVOBE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99365-40-9

CID: 2773289

Formula: C8H6BrNO

MW: 212.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.04
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	210.96328
Monoisotopic Mass	210.96328
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
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