2-bromo-5,6,8,9-tetrahydro-5,5,9,9-tetramethyl-7H-benzocyclohepten-7-one

HCID 20071029
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Basic information

Standard SMILES
CC1(C)CC(=O)CC(C)(C)c2cc(Br)ccc21
InChIKey
BMKQQCSLUJLPAN-UHFFFAOYSA-N
Molecular formula
C15H19BrO
Average molar mass
295.21 g/mol
Monoisotopic mass
294.06193

Names & identifiers

Preferred name
2-bromo-5,6,8,9-tetrahydro-5,5,9,9-tetramethyl-7H-benzocyclohepten-7-one
IUPAC
3-bromo-5,5,9,9-tetramethyl-6,8-dihydrobenzo[7]annulen-7-one

Names & synonyms

SCHEMBL9418964BMKQQCSLUJLPAN-UHFFFAOYSA-N2-bromo-5,6,8,9-tetrahydro-5,5,9,9-tetramethyl-7H-benzocyclohepten-7-one

Database identifiers

PubChem CID
20071029

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
17

Related reactions

1 records
New reaction record

Compound notes

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