3-Bromoindolin-2-one

CAT: 0127-OR81484-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR81484-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

22942-87-6

MDL Number

MFCD00474900

Purity

95%

Smiles

O=C1NC2=C(C=CC=C2)C1Br

Chemical Information

2H-Indol-2-one, 3-bromo-1,3-dihydro-

CAS Number	22942-87-6
PubChem CID	3571629
IUPAC Name	3-bromo-1,3-dihydroindol-2-one
Molecular Formula	C8H6BrNO
Molecular Weight	212.04
XLogP	1.7
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

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

InChI

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

InChIKey

KQNMNQHOKUHSJP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22942-87-6

CID: 3571629

Formula: C8H6BrNO

MW: 212.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.04
XLogP3	1.7
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	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1044595-01	1- (5-Bromoindolin-1-yl) -2-morpholinoethan-1-one
OR1051852-01	1- (5-Bromoindolin-1-yl) -2-chloroethan-1-one
OR85812	5-Bromo-2- (5-bromoindolin-2-yl) phenol
OR93627	(R) -5-bromo-2- (5-bromoindolin-2-yl) phenol
OR318106-01	1-Acetyl-5-bromoindolin-7-amine
OR315195-01	1-Acetyl-7-bromoindolin-5-amine
PC1006919-01	3,3-Difluoropyrrolidin-2-one
OR1072157-01	3,3-Dimethylpiperidin-2-one
OR964406-01	3,3-Dimethylindolin-2-one
OR75289-01	3,3-Dimethylpyrrolidin-2-one

Catalog	Name
abx185827-01	5-Bromoindolin-2-one
RG-A261349-01	6-Bromoindolin-3-One
HKB83342	3- (aza (4-ethoxyphenyl) methylene) -5-bromoindolin-2-one
TEA41628	3- ((2,4-difluorophenyl) imino) -5-bromoindolin-2-one
QQA78838	3- ((4- (trifluoromethoxy) phenyl) imino) -5-bromoindolin-2-one
ZQB71658	3- ((4- ((hydroxyimino) ethyl) phenyl) imino) -5-bromoindolin-2-one
FD142413-01	3,3-Dibromopiperidin-2-one
HY-W010376-01	3,3-Dimethoxybutan-2-one
RBA41912-01	3,3-Dichloropiperidin-2-one
GYB54041-01	3,3-Difluoropiperidin-2-one