7-Bromoisatin

CAT: 0024-sc-254903Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-254903Size:1 g

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CAS Number

20780-74-9

Chemical Information

7-Bromoisatin

CAS Number	20780-74-9
PubChem CID	2302353
IUPAC Name	7-bromo-1H-indole-2,3-dione
Molecular Formula	C8H4BrNO2
Molecular Weight	226.03
XLogP	1.5
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	241

SMILES

C1=CC2=C(C(=C1)Br)NC(=O)C2=O

InChI

InChI=1S/C8H4BrNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)

InChIKey

OCVKSIWBTJCXPV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20780-74-9

CID: 2302353

Formula: C8H4BrNO2

MW: 226.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.03
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	224.94254
Monoisotopic Mass	224.94254
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	241
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
OR14358-01	7-Bromoisatin
PC408007-01	4-Fluoro-7-bromoisatin
FB19026-01	6-Bromoisatin
263217-01	5-Bromoisatin
FB60761-01	4-Bromoisatin
B21760-01	5-Bromoisatin hemihydrate
OR10273	5-bromoisatin, 3-thiosemicarbazide
KIA48734	5-bromoisatin, 3- (4-allylthiosemicarbazide)
X-LCP-105	7.7 MAG
TBZ1236	7,7α-Diepialexine