5-Bromo-2-(2-methoxy-2-methylethoxy)benzonitrile

HCID 19735126
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(C)COc1ccc(Br)cc1C#N
InChIKey
DSEFTFATTOHUFS-UHFFFAOYSA-N
Molecular formula
C11H12BrNO2
Average molar mass
270.12 g/mol

Names & identifiers

Preferred name
5-Bromo-2-(2-methoxy-2-methylethoxy)benzonitrile
IUPAC
5-bromo-2-(2-methoxypropoxy)benzonitrile

Names & synonyms

SCHEMBL9477443DSEFTFATTOHUFS-UHFFFAOYSA-N5-bromo-2-(2-methoxy-2-methylethoxy)benzonitrile

Database identifiers

PubChem CID
19735126

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
42.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15

Related reactions

2 records
New reaction record

Linked notes

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