CAS 34598-49-7 | 5-Bromo-1-indanone | CAS Number 34598-49-7

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34598-49-7 | 5-Bromo-1-indanone

CAS No: 34598-49-7 Catalog No: AG00348B MDL No:MFCD00082718

Product Description

Catalog Number:

AG00348B

Chemical Name:

5-Bromo-1-indanone

CAS Number:

34598-49-7

Molecular Formula:

C9H7BrO

Molecular Weight:

211.0553

MDL Number:

MFCD00082718

IUPAC Name:

5-bromo-2,3-dihydroinden-1-one

InChI:

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

InChI Key:

KSONICAHAPRCMV-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)CCC2=O

Properties

Complexity:

178

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.968g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.058g/mol

Monoisotopic Mass:

209.968g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Novel tricyclic pyrazole BRAF inhibitors with imidazole or furan central scaffolds.	Bioorganic & medicinal chemistry 20100915
6-aryl-8H-indeno[1,2-d]thiazol-2-ylamines: A1 adenosine receptor agonist allosteric enhancers having improved potency.	Journal of medicinal chemistry 20050811