5-Bromoindan-2-one

CAT: 0127-OR40513-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR40513-01Size:1 g

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

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CAS Number

174349-93-0

Synonyms

5-Bromo-1,3-dihydro-2H-inden-2-one, 5-Bromo-2,3-dihydro-2-oxo-1H-indene

MDL Number

MFCD07778391

Purity

97%

Smiles

Brc1ccc2CC(=O)Cc2c1

Chemical Information

5-Bromo-1H-inden-2(3H)-one

CAS Number	174349-93-0
PubChem CID	19711238
IUPAC Name	5-bromo-1,3-dihydroinden-2-one
Molecular Formula	C9H7BrO
Molecular Weight	211.05
XLogP	2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	178

SMILES

C1C(=O)CC2=C1C=CC(=C2)Br

InChI

InChI=1S/C9H7BrO/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3H,4-5H2

InChIKey

JQBSSMBLVVTRKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174349-93-0

CID: 19711238

Formula: C9H7BrO

MW: 211.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.05
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	209.96803
Monoisotopic Mass	209.96803
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	178
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
OR4530-01	5-Bromoindan-1-one
OR23417-01	2-Bromoindan-1-one
OR17022-01	4-Bromoindan-2-one
OR40392-01	7-Bromoindan-1-one
OR17021-01	4-Bromoindan-1-one
OR301319-01	6-Bromoindan-1-one
OR110851-01	5-Bromoindan-1-ol
OR11737-01	3-Bromoindan-1-one
OR310934-01	2-Amino-5-bromoindane hydrobromide
OR1048966-01	5,5-Dimethyloxepan-2-one