3-(o-Bromobenzyloxy)4-methoxybenzonitrile

HCID 22707017
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Basic information

Standard SMILES
COc1ccc(C#N)cc1OCc1ccccc1Br
InChIKey
DMXWVWRUGBFTOH-UHFFFAOYSA-N
Molecular formula
C15H12BrNO2
Average molar mass
318.16 g/mol
Monoisotopic mass
317.00514

Names & identifiers

Preferred name
3-(o-Bromobenzyloxy)4-methoxybenzonitrile
IUPAC
3-[(2-bromophenyl)methoxy]-4-methoxybenzonitrile

Names & synonyms

SCHEMBL6764985DMXWVWRUGBFTOH-UHFFFAOYSA-N3-(o-Bromobenzyloxy)4-methoxybenzonitrile3-(o-bromobenzyloxy)-4-methoxybenzonitrile

Database identifiers

PubChem CID
22707017

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
42.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

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