Basic information
- CAS
1805018-18-1- Standard SMILES
COC(=O)Cc1cc(Br)cc(C#N)c1I- InChIKey
BLWPTSNNJHGRDY-UHFFFAOYSA-N- Molecular formula
- C10H7BrINO2
- Average molar mass
- 379.98 g/mol
- Monoisotopic mass
- 378.87049
Names & identifiers
- Preferred name
- Methyl (5-bromo-3-cyano-2-iodophenyl)acetate
- IUPAC
- methyl 2-(5-bromo-3-cyano-2-iodophenyl)acetate
Names & synonyms
DTXSID0011981851805018-18-1Methyl (5-bromo-3-cyano-2-iodophenyl)acetateBenzeneacetic acid, 5-bromo-3-cyano-2-iodo-, methyl ester
Database identifiers
- CAS
1805018-18-1- PubChem CID
- 134635467
- DTXSID
DTXSID001198185
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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