Methyl 4-(4-bromophenyl)-2,2-dimethyl-4-oxobutanoate

HCID 21985797
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(C)(C)CC(=O)c1ccc(Br)cc1
InChIKey
DPUUNEZEFLAPQM-UHFFFAOYSA-N
Molecular formula
C13H15BrO3
Average molar mass
299.16 g/mol

Names & identifiers

Preferred name
Methyl 4-(4-bromophenyl)-2,2-dimethyl-4-oxobutanoate
IUPAC
methyl 4-(4-bromophenyl)-2,2-dimethyl-4-oxobutanoate

Names & synonyms

methyl 4-(4-bromophenyl)-2,2-dimethyl-4-oxobutanoate791593-73-2SCHEMBL1748024DPUUNEZEFLAPQM-UHFFFAOYSA-NDB-125211

Database identifiers

PubChem CID
21985797
Nikkaji
J2.575.635E

Properties

Computed structural properties

XLogP
3
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
17

Related reactions

19 records
New reaction record

Linked notes

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