Basic information
- CAS
111294-36-1- Standard SMILES
O=C1NC(=O)C(c2ccc(N(CCCl)CCCl)cc2)N1- InChIKey
CJACFRAJQCLVJP-UHFFFAOYSA-N- Molecular formula
- C13H15Cl2N3O2
- Average molar mass
- 316.18 g/mol
- Monoisotopic mass
- 315.0541321
Names & identifiers
- Preferred name
- Hydantoin, 5-(p-(bis(2-chloroethyl)amino)phenyl)-
- IUPAC
- 5-[4-[bis(2-chloroethyl)amino]phenyl]imidazolidine-2,4-dione
Names & synonyms
CB 1648111294-36-15-(p-(Bis(2-chloroethyl)amino)phenyl)hydantoinBRN 0620475HYDANTOIN, 5-(p-(BIS(2-CHLOROETHYL)AMINO)PHENYL)-5-25-16-00014 (Beilstein Handbook Reference)RefChem:347967DTXSID809120964-{4-[Bis(2-chloroethyl)amino]phenyl}-4H-imidazole-2,5-diol
Database identifiers
- CAS
111294-36-1- PubChem CID
- 60487
- DTXSID
DTXSID80912096
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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