Basic information
- CAS
57483-87-1- Standard SMILES
CC(C)(C)OC(=O)C(C)([NH3+])c1ccc(Cl)c(Cl)c1.[Br-]- InChIKey
SZIMSUUHKKAQMR-UHFFFAOYSA-N- Molecular formula
- C13H18BrCl2NO2
- Average molar mass
- 371.1 g/mol
- Monoisotopic mass
- 368.9898
Names & identifiers
- Preferred name
- tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1)
- IUPAC
- [2-(3,4-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]azanium bromide
Names & synonyms
57483-87-1DTXSID90973012tert-Butyl 2-(3,4-dichlorophenyl)alaninate--hydrogen bromide (1/1)RefChem:1099507DTXCID8014004712-(3,4-Dichlorophenyl)-1,1-dimethylethyl 2-aminopropanoate hydrobromideALANINE, 2-(3,4-DICHLOROPHENYL)-1,1-DIMETHYLETHYL ESTER, HYDROBROMIDE
Database identifiers
- CAS
57483-87-1- PubChem CID
- 42374
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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