Basic information
- CAS
64624-42-6- Standard SMILES
COC(=O)c1cccc(C)c1NC(=O)NCCCl- InChIKey
XKQQEVUONYSUQX-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O3
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.07712
Names & identifiers
- Preferred name
- m-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl ester
- IUPAC
- methyl 2-(2-chloroethylcarbamoylamino)-3-methylbenzoate
Names & synonyms
BRN 213946664624-42-61-(2-Chloroethyl)-3-(2-carbomethoxy-6-methylphenyl)uream-Toluic acid, 1-(2-chloroethyl)ureylene-, methyl esterUrea, 1-(2-chloroethyl)-3-(2-methoxycarbonyl-o-tolyl)-DTXSID50214872Benzoic acid, 2-((((2-chloroethyl)amino)carbonyl)amino)-3-methyl-, methyl esterNSC 162248RefChem:351578DTXCID80137363NSC162248methyl 2-{[(2-chloroethyl)carbamoyl]amino}-3-methylbenzoate
Show more names
NSC-162248
Database identifiers
- CAS
64624-42-6- PubChem CID
- 98725
- DTXSID
DTXSID50214872- Nikkaji
- J85.057H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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