Basic information
- CAS
27471-42-7- Standard SMILES
O=C(CCCCCl)Nc1ccc(Br)cc1- InChIKey
CFOVGBMBEDOVGW-UHFFFAOYSA-N- Molecular formula
- C11H13BrClNO
- Average molar mass
- 290.58 g/mol
- Monoisotopic mass
- 288.9869
Names & identifiers
- Preferred name
- Pentanamide, N-(4-bromophenyl)-5-chloro-
- IUPAC
- N-(4-bromophenyl)-5-chloropentanamide
Names & synonyms
N-(4-bromophenyl)-5-chloropentanamidePentanamide, N-(4-bromophenyl)-5-chloro-27471-42-7SCHEMBL4420939DTXSID701285761MFCD11192791
Database identifiers
- CAS
27471-42-7- PubChem CID
- 532168
- DTXSID
DTXSID701285761
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
Kovats Retention Index2210
Related reactions
3 records
Compound notes
Loading…