tert-Butyl 4-(4-bromo-2-fluorobenzoyl)piperidine-1-carboxylate
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Basic information
- CAS
1159826-04-6- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(Br)cc2F)CC1- InChIKey
ZDFQZYWERRIWKC-UHFFFAOYSA-N- Molecular formula
- C17H21BrFNO3
- Average molar mass
- 386.3 g/mol
- Monoisotopic mass
- 385.06888
Names & identifiers
- Preferred name
- tert-Butyl 4-(4-bromo-2-fluorobenzoyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-bromo-2-fluorobenzoyl)piperidine-1-carboxylate
- English name
- tert-Butyl 4-(4-broMo-2-fluorobenzoyl)piperidine-1-carboxylate
- Molecular formula
- C17H21BrFNO3
- Molecular weight
- 386.26
Names & synonyms
1159826-04-6tert-Butyl 4-(4-bromo-2-fluorobenzoyl)piperidine-1-carboxylate1-Boc-4-(4-Bromo-2-fluorobenzoyl)piperidineMFCD12068397tert-butyl 4-(4-bromo-2-fluoro-benzoyl)piperidine-1-carboxylate1,1-Dimethylethyl 4-(4-bromo-2-fluorobenzoyl)-1-piperidinecarboxylateDTXSID906781164-(4-bromo-2-fluorobenzoyl)piperidine-1-carboxylic acid tert-butyl esterBS-49480DB-371934CS-0199945F634605
Show more names
tert-Butyl4-(4-bromo-2-fluorobenzoyl)piperidine-1-carboxylate4-(4-bromo-2-fluoro-benzoyl)-piperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 4-(4-bromo-2-fluorobenzoyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1159826-04-6- PubChem CID
- 49760132
- DTXSID
DTXSID90678116
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 444
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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