Basic information
- CAS
647824-99-5- Standard SMILES
O=C(NCCCCCCl)Nc1ccc(Cl)c(Cl)c1- InChIKey
RMWAPYKLFIRCHX-UHFFFAOYSA-N- Molecular formula
- C12H15Cl3N2O
- Average molar mass
- 309.6 g/mol
- Monoisotopic mass
- 308.024996
Names & identifiers
- Preferred name
- 1-(5-Chloropentyl)-3-(3,4-dichlorophenyl)urea
- IUPAC
- 1-(5-chloropentyl)-3-(3,4-dichlorophenyl)urea
Names & synonyms
1-(5-chloropentyl)-3-(3,4-dichlorophenyl)urea647824-99-5DTXSID70380341RefChem:225741DTXCID60331367N-(5-chloropentyl)-N'-(3,4-dichlorophenyl)urea
Database identifiers
- CAS
647824-99-5- PubChem CID
- 2777036
- DTXSID
DTXSID70380341
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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