Basic information
- Standard SMILES
N=C(OC(c1ccccc1)c1ccc(Br)cn1)C(Cl)(Cl)Cl- InChIKey
IMZNOBKWCGLONB-UHFFFAOYSA-N- Molecular formula
- C14H10BrCl3N2O
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 405.90421
Names & identifiers
- Preferred name
- (5-Bromopyridin-2-yl)(phenyl)methyl 2,2,2-trichloroethanimidoate
- IUPAC
- [(5-bromo-2-pyridinyl)-phenylmethyl] 2,2,2-trichloroethanimidate
Names & synonyms
SCHEMBL5526735IMZNOBKWCGLONB-UHFFFAOYSA-N(5-bromopyridin-2-yl)(phenyl)methyl 2,2,2-trichloroethanimidoate
Database identifiers
- PubChem CID
- 69476307
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Related reactions
2 records
Compound notes
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