(5-(Butyl(ethyl)carbamoyl)-2-chlorophenyl)boronic acid
Basic information
- CAS
2096336-95-5- Standard SMILES
CCCCN(CC)C(=O)c1ccc(Cl)c(B(O)O)c1- InChIKey
ONVUDBNWTFJVJD-UHFFFAOYSA-N- Molecular formula
- C13H19BClNO3
- Average molar mass
- 283.56 g/mol
- Monoisotopic mass
- 283.1146513
Names & identifiers
- Preferred name
- (5-(Butyl(ethyl)carbamoyl)-2-chlorophenyl)boronic acid
- IUPAC
- [5-[butyl(ethyl)carbamoyl]-2-chlorophenyl]boronic acid
Names & synonyms
2096336-95-5(5-(Butyl(ethyl)carbamoyl)-2-chlorophenyl)boronic acid{5-[Butyl(ethyl)carbamoyl]-2-chlorophenyl}boronic acidDTXSID101175263Boronic acid, B-[5-[(butylethylamino)carbonyl]-2-chlorophenyl]-
Database identifiers
- CAS
2096336-95-5- PubChem CID
- 73995705
- DTXSID
DTXSID101175263
Properties
Computed structural properties
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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