6-Bromo-1-indanone

CAT: 0926-FB13717-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FB13717-01Size:10 g

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

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CAS Number

14548-39-1

Synonyms

6-Bromoindanone

MDL Number

MFCD02179286

Smiles

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

Molecular Formula

C9H7BrO

Molecular Weight

211.06 g/mol

Controlled

Chemical Information

1-Indanone, 6-bromo-

CAS Number	14548-39-1
PubChem CID	139778
IUPAC Name	6-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/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2

InChIKey

SEQHEDQNODAFIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14548-39-1

CID: 139778

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