3-[5-Chloromethyl-3,3-dimethyl-2,3-dihydro-benzofuran-7-yl)-4-trifluoromethoxy-benzaldehyde

HCID 18445406
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Basic information

Standard SMILES
CC1(C)COc2c(-c3cc(C=O)ccc3OC(F)(F)F)cc(CCl)cc21
InChIKey
FYXJOLGDDHUMRL-UHFFFAOYSA-N
Molecular formula
C19H16ClF3O3
Average molar mass
384.8 g/mol

Names & identifiers

Preferred name
3-[5-Chloromethyl-3,3-dimethyl-2,3-dihydro-benzofuran-7-yl)-4-trifluoromethoxy-benzaldehyde
IUPAC
3-[5-(chloromethyl)-3,3-dimethyl-2H-1-benzofuran-7-yl]-4-(trifluoromethoxy)benzaldehyde

Names & synonyms

SCHEMBL5657416FYXJOLGDDHUMRL-UHFFFAOYSA-N3-[5-chloromethyl-3,3-dimethyl-2,3-dihydro-benzofuran-7-yl)-4-trifluoromethoxy-benzaldehyde

Database identifiers

PubChem CID
18445406

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
26

Related reactions

3 records
New reaction record

Compound notes

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