4-Bromo-6,7-dimethyl-2,3-dihydro-1H-inden-1-one

HCID 13809869
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Basic information

CAS
112631-50-2
Standard SMILES
Cc1cc(Br)c2c(c1C)C(=O)CC2
InChIKey
KLBVVAYZHZJLFR-UHFFFAOYSA-N
Molecular formula
C11H11BrO
Average molar mass
239.11 g/mol
Monoisotopic mass
237.99932707

Names & identifiers

Preferred name
4-Bromo-6,7-dimethyl-2,3-dihydro-1H-inden-1-one
IUPAC
4-bromo-6,7-dimethyl-2,3-dihydroinden-1-one

Names & synonyms

4-Bromo-6,7-dimethyl-2,3-dihydro-1H-inden-1-one112631-50-24-BROMO-6,7-DIMETHYL-2,3-DIHYDROINDEN-1-ONESCHEMBL8902314DTXSID30550164KLBVVAYZHZJLFR-UHFFFAOYSA-N4-bromo-6,7-dimethyl-1-indanone

Database identifiers

CAS
112631-50-2
PubChem CID
13809869
DTXSID
DTXSID30550164

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
13

Related reactions

4 records
New reaction record

Compound notes

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