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Basic information
- Standard SMILES
CC(=O)N(C(C)=O)c1cc(CBr)c(Cl)cc1F- InChIKey
ZFKDEBMPLHIKKC-UHFFFAOYSA-N- Molecular formula
- C11H10BrClFNO2
- Average molar mass
- 322.56 g/mol
- Monoisotopic mass
- 320.95675
Names & identifiers
- Preferred name
- 2-Chloro-4-fluoro-5-diacetylaminobenzyl bromide
- IUPAC
- N-acetyl-N-[5-(bromomethyl)-4-chloro-2-fluorophenyl]acetamide
Names & synonyms
2-chloro-4-fluoro-5-diacetylaminobenzyl bromideSCHEMBL10576969ZFKDEBMPLHIKKC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20032367
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Related reactions
4 records
Compound notes
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