Basic information
- CAS
13908-57-1- Standard SMILES
O=C(NCCCl)Nc1ccc2ccccc2c1- InChIKey
BMPINTUZIXWLFQ-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O
- Average molar mass
- 248.71 g/mol
- Monoisotopic mass
- 248.07164072
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(2-naphthyl)-
- IUPAC
- 1-(2-chloroethyl)-3-naphthalen-2-ylurea
Names & synonyms
13908-57-1NSC83699Urea, 1-(2-chloroethyl)-3-(2-naphthyl)-CHEMBL148690SCHEMBL3778349DTXSID00930313BMPINTUZIXWLFQ-UHFFFAOYSA-NNSC-83699DB-1264761-(2-chloroethyl)-3-(naphthalen-2-yl)urea1-(2-Chloro-ethyl)-3-naphthalen-2-yl-ureaN'-(2-Chloroethyl)-N-naphthalen-2-ylcarbamimidic acid
Show more names
N'-(2-Chloroethyl)-N-(naphthalen-2-yl)carbamimidic acid
Database identifiers
- CAS
13908-57-1- PubChem CID
- 256650
- DTXSID
DTXSID00930313- ChEMBL
CHEMBL148690- Nikkaji
- J1.495.820G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Related reactions
6 records
Compound notes
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