1-Bromo-5-(1,1-dimethoxyethyl)-2-methoxy-3-trifluoromethylbenzene

HCID 58085697

Basic information

CAS
1005515-09-2
Standard SMILES
COc1c(Br)cc(C(C)(OC)OC)cc1C(F)(F)F
InChIKey
GNKNFLBHLJLPNT-UHFFFAOYSA-N
Molecular formula
C12H14BrF3O3
Average molar mass
343.14 g/mol
Monoisotopic mass
342.00784

Names & identifiers

Preferred name
1-Bromo-5-(1,1-dimethoxyethyl)-2-methoxy-3-trifluoromethylbenzene
IUPAC
1-bromo-5-(1,1-dimethoxyethyl)-2-methoxy-3-(trifluoromethyl)benzene

Names & synonyms

1-Bromo-5-(1,1-dimethoxyethyl)-2-methoxy-3-trifluoromethylbenzene1005515-09-21-bromo-5-(1,1-dimethoxyethyl)-2-methoxy-3-(trifluoromethyl)benzeneSCHEMBL1188715DTXSID601163328DB-390900

Database identifiers

CAS
1005515-09-2
PubChem CID
58085697
DTXSID
DTXSID601163328

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
19

Related reactions

12 records

Compound notes

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