4-Bromo-1-indanone

CAT: 0926-FB15384-01Size: 500 gDry Ice: NoHazardous: No

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CAT#:0926-FB15384-01Size:500 g

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CAS Number

15115-60-3

MDL Number

MFCD01719772

Smiles

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

Molecular Formula

C9H7BrO

Molecular Weight

211.06 g/mol

Controlled

Chemical Information

1-Indanone, 4-bromo-

CAS Number	15115-60-3
PubChem CID	98713
IUPAC Name	4-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=C2)Br

InChI

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

InChIKey

UVVYFYLSZIMKMC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15115-60-3

CID: 98713

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