3-Bromo-4-(phenylmethoxy)-benzonitrile

HCID 3960018

Basic information

Standard SMILES
N#Cc1ccc(OCc2ccccc2)c(Br)c1
InChIKey
QQOOGFABDFSRFK-UHFFFAOYSA-N
Molecular formula
C14H10BrNO
Average molar mass
288.14 g/mol
Monoisotopic mass
286.99458

Names & identifiers

Preferred name
3-Bromo-4-(phenylmethoxy)-benzonitrile
IUPAC
3-bromo-4-phenylmethoxybenzonitrile

Names & synonyms

3-Bromo-4-(phenylmethoxy)-benzonitrile317358-76-24-(BENZYLOXY)-3-BROMOBENZONITRILE3-bromo-4-phenylmethoxybenzonitrile4-benzyloxy-3-bromobenzonitrile3-Bromo-4-[(phenylmethyl)oxy]benzonitrileSCHEMBL19801414-benzyloxy-3-bromo-benzonitrileQQOOGFABDFSRFK-UHFFFAOYSA-NMFCD09709331AKOS017269629BS-32262
Show more names
Benzonitrile, 3-bromo-4-(phenylmethoxy)-A1-00807

Database identifiers

PubChem CID
3960018

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
33 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
17

Related reactions

7 records

Compound notes

Loading…