Basic information
- CAS
55791-82-7- Standard SMILES
CCC(=O)Nc1cccc(OC(=O)NCCCl)c1- InChIKey
RHRGXDDPFNORDS-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O3
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.07712
Names & identifiers
- Preferred name
- [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate
- IUPAC
- [3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamate
Names & synonyms
55791-82-7[3-(propanoylamino)phenyl] N-(2-chloroethyl)carbamateNSC222569DTXSID00310136NSC-222569DS-0074103-Propanamidophenyl (2-chloroethyl)carbamateCARBAMIC ACID,(2-CHLOROETHYL)-, 3-[(1-OXOPROPYL)AMINO]PHENYL ESTER (9CI)
Database identifiers
- CAS
55791-82-7- PubChem CID
- 312469
- DTXSID
DTXSID00310136
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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