Methyl 3-(3-bromopropanamido)-4-ethylbenzoate
Basic information
- CAS
88072-07-5- Standard SMILES
CCc1ccc(C(=O)OC)cc1NC(=O)CCBr- InChIKey
FRAXIVZFNYPFGF-UHFFFAOYSA-N- Molecular formula
- C13H16BrNO3
- Average molar mass
- 314.17 g/mol
- Monoisotopic mass
- 313.03136
Names & identifiers
- Preferred name
- Methyl 3-(3-bromopropanamido)-4-ethylbenzoate
- IUPAC
- methyl 3-(3-bromopropanoylamino)-4-ethylbenzoate
Names & synonyms
88072-07-5Methyl 3-(3-bromopropanamido)-4-ethylbenzoateDTXSID40539445
Database identifiers
- CAS
88072-07-5- PubChem CID
- 13400007
- DTXSID
DTXSID40539445
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…