Basic information
- CAS
17505-57-6- Standard SMILES
O=C(NCCCl)NNC(=O)c1ccccc1- InChIKey
FYWBIKBVOIBXFR-UHFFFAOYSA-N- Molecular formula
- C10H12ClN3O2
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0618043
Names & identifiers
- Preferred name
- Semicarbazide, 1-benzoyl-4-(2-chloroethyl)-
- IUPAC
- 1-benzamido-3-(2-chloroethyl)urea
Names & synonyms
1-Benzoyl-4-(2-chloroethyl)semicarbazide17505-57-6Semicarbazide, 1-benzoyl-4-(2-chloroethyl)-NSC 162333DTXSID60169925RefChem:380118DTXCID9092416NSC162333NSC-1623332-Benzoyl-N-(2-chloroethyl)hydrazine-1-carboxamide
Database identifiers
- CAS
17505-57-6- PubChem CID
- 98732
- DTXSID
DTXSID60169925- Nikkaji
- J93.062H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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