7-Bromoindan-1-one

CAT: 0127-OR40392-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR40392-01Size:1 g

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

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CAS Number

125114-77-4

Synonyms

7-Bromo-2,3-dihydro-1H-inden-1-one, 7-Bromo-2,3-dihydro-1-oxo-1H-indene

MDL Number

MFCD06796574

Purity

98%

Smiles

Brc1cccc2CCC(=O)c12

Chemical Information

7-Bromo-2,3-dihydro-1H-inden-1-one

CAS Number	125114-77-4
PubChem CID	14515298
IUPAC Name	7-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=CC=C2Br

InChI

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

InChIKey

ZWEODBMKCBWTTQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 125114-77-4

CID: 14515298

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