3-(Bromomethyl)-5-(trifluoromethyl)benzonitrile

HCID 11601369CAS 669080-79-9

Basic information

Standard SMILES
N#Cc1cc(CBr)cc(C(F)(F)F)c1
InChIKey
XPUXNYPZDDSUDQ-UHFFFAOYSA-N
Molecular formula
C9H5BrF3N
Average molar mass
264.04 g/mol
Monoisotopic mass
262.95574592

Names & identifiers

Preferred name
3-(Bromomethyl)-5-(trifluoromethyl)benzonitrile
IUPAC
3-(bromomethyl)-5-(trifluoromethyl)benzonitrile

Names & synonyms

3-(bromomethyl)-5-(trifluoromethyl)benzonitrile669080-79-9Benzonitrile, 3-(bromomethyl)-5-(trifluoromethyl)-SCHEMBL130428SCHEMBL29812995DTXSID304692823-bromomethyl-5-trifluoromethylbenzonitrile3-Cyano-5-(trifluoromethyl)benzyl bromideDB-2038553-bromomethyl-5-trifluoromethyl-benzonitrile

Database identifiers

CAS
669080-79-9
PubChem CID
11601369
DTXSID
DTXSID30469282

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Related reactions

16 records

Linked notes

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