Basic information
- Standard SMILES
CCOC(=O)N=c1sc(Br)cn1-c1cccc(C(F)(F)F)c1- InChIKey
MXUQOHDYOSTEDZ-UHFFFAOYSA-N- Molecular formula
- C13H10BrF3N2O2S
- Average molar mass
- 395.2 g/mol
Names & identifiers
- Preferred name
- 2-Ethoxycarbonylimino-3-(3-trifluoromethylpheny)-5-bromothiazoline
- IUPAC
- ethyl N-[5-bromo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-ylidene]carbamate
Names & synonyms
2-ethoxycarbonylimino-3-(3-trifluoromethylpheny)-5-bromothiazolineSCHEMBL90650872-ethoxycarbonylimino-3-(3-trifluoromethylphenyl)-5-bromothiazoline
Database identifiers
- PubChem CID
- 54096993
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 496
Related reactions
6 records
Compound notes
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