4-Bromo-3,3-dimethylindolin-2-one

CAT: 0127-OR1102655-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1102655-01Size:100 mg

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CAS Number

870552-47-9

MDL Number

MFCD18711494

Purity

97%

Smiles

O=C1NC2=C (C (Br) =CC=C2) C1 (C) C

Chemical Information

4-Bromo-3,3-dimethylindolin-2-one

CAS Number	870552-47-9
PubChem CID	53402594
IUPAC Name	4-bromo-3,3-dimethyl-1H-indol-2-one
Molecular Formula	C10H10BrNO
Molecular Weight	240.10
XLogP	2.4
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	239

SMILES

CC1(C2=C(C=CC=C2Br)NC1=O)C

InChI

InChI=1S/C10H10BrNO/c1-10(2)8-6(11)4-3-5-7(8)12-9(10)13/h3-5H,1-2H3,(H,12,13)

InChIKey

JOYAZIZUUBNQFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 870552-47-9

CID: 53402594

Formula: C10H10BrNO

MW: 240.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.10
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	238.99458
Monoisotopic Mass	238.99458
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	239
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
PC1005335-01	5-Bromo-4-fluoro-3,3-dimethylindolin-2-one
OR964406-01	3,3-Dimethylindolin-2-one
PC103752-01	6-Bromo-5-fluoro-3,3-dimethylindolin-2-one
PC1016181-01	3,3-Difluoro-4,6-dimethylindolin-2-one
OR1048075-01	1,3-Dimethylindolin-2-one
OR94909-01	6-Amino-3,3-dimethylindolin-2-one
OR72103	5-Ethoxy-1,3-dimethylindolin-2-one
OR1069257-01	3,3-Dimethylindolin-4-amine dihydrochloride
OR1046879-01	1,7-Dimethylindolin-2-one
OR81220-01	5,7-Dimethylindolin-2-one

Catalog	Name
VJB55247-01	4-bromo-3,3-dimethylindolin-2-one
IGA32684	6-bromo-3,3-dimethylindolin-2-one
DAA92978-01	2,2-Dimethylindolin-3-one
ZCA49246-01	5-chloro-3,3-dimethylindolin-2-one
RJB21145-01	6-Fluoro-3,3-dimethylindolin-2-one
RJB20999-01	5-Fluoro-3,3-dimethylindolin-2-one
FDA71156-01	5-Hydroxy-3,3-dimethylindolin-2-one
437830-01	6-Amino-3,3-dimethylindolin-2-one
EFC26774-01	4-Bromo-3,3-difluorobutan-2-one
FCA98568-01	3-Bromo-4-phenylbutan-2-one