Basic information
- CAS
2062-72-8- Standard SMILES
O=C(Nc1ccc(F)cc1)N(CCCl)CCCl- InChIKey
BZHMGOWHZHYFHF-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2FN2O
- Average molar mass
- 279.13 g/mol
- Monoisotopic mass
- 278.0388966
Names & identifiers
- Preferred name
- 1,1-Bis(2-chloroethyl)-3-(4-fluorophenyl)urea
- IUPAC
- 1,1-bis(2-chloroethyl)-3-(4-fluorophenyl)urea
Names & synonyms
2062-72-81,1-bis(2-chloroethyl)-3-(4-fluorophenyl)ureaNSC80318DTXSID00292089NSC-80318AKOS017268061DS-012565N,N-Bis(2-chloroethyl)-N'-(4-fluorophenyl)ureaUrea,n,n-bis(2-chloroethyl)-n-(4-fluorophenyl)-
Database identifiers
- CAS
2062-72-8- PubChem CID
- 255083
- DTXSID
DTXSID00292089
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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