Basic information
- CAS
13908-60-6- Standard SMILES
O=C(NCCCl)Nc1c2ccccc2nc2ccccc12- InChIKey
REBMSSCXOLXNTD-UHFFFAOYSA-N- Molecular formula
- C16H14ClN3O
- Average molar mass
- 299.75 g/mol
- Monoisotopic mass
- 299.0825398
Names & identifiers
- Preferred name
- 1-Acridin-9-yl-3-(2-chloroethyl)urea
- IUPAC
- 1-acridin-9-yl-3-(2-chloroethyl)urea
Names & synonyms
13908-60-61-acridin-9-yl-3-(2-chloroethyl)ureaNSC89210DTXSID80293397NSC-89210N-(Acridin-9-yl)-N'-(2-chloroethyl)urea
Database identifiers
- CAS
13908-60-6- PubChem CID
- 259339
- DTXSID
DTXSID80293397
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…