Basic information
- CAS
13908-76-4- Standard SMILES
CCC(CCl)NC(=O)NC(CC)CCl- InChIKey
JURVYJWWEKLVPF-UHFFFAOYSA-N- Molecular formula
- C9H18Cl2N2O
- Average molar mass
- 241.16 g/mol
- Monoisotopic mass
- 240.0796186
Names & identifiers
- Preferred name
- 1,3-Bis(1-chlorobutan-2-yl)urea
- IUPAC
- 1,3-bis(1-chlorobutan-2-yl)urea
Names & synonyms
13908-76-4NSC95461DTXSID40930317NSC-95461N,N'-Bis(1-chlorobutan-2-yl)carbamimidic acid
Database identifiers
- CAS
13908-76-4- PubChem CID
- 262124
- DTXSID
DTXSID40930317
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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