5-Bromoindan-1-one

CAT: 0127-OR4530-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR4530-01Size:5 g

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

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CAS Number

34598-49-7

Synonyms

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

MDL Number

MFCD00082718

Purity

97%

Smiles

Brc1ccc2C(=O)CCc2c1

Chemical Information

5-Bromo-1-indanone

CAS Number	34598-49-7
PubChem CID	520695
IUPAC Name	5-bromo-2,3-dihydroinden-1-one
Molecular Formula	C9H7BrO
Molecular Weight	211.05
XLogP	2.4
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

C1CC(=O)C2=C1C=C(C=C2)Br

InChI

InChI=1S/C9H7BrO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2

InChIKey

KSONICAHAPRCMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34598-49-7

CID: 520695

Formula: C9H7BrO

MW: 211.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.05
XLogP3	2.4
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