Basic information
- CAS
107676-56-2- Standard SMILES
COc1ccc(NC(=O)Nc2ccc(C#N)cc2)cc1- InChIKey
KUUOBHWNEYRZBM-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.10077667
Names & identifiers
- Preferred name
- 1-(4-Cyanophenyl)-3-(4-methoxyphenyl)urea
- IUPAC
- 1-(4-cyanophenyl)-3-(4-methoxyphenyl)urea
Names & synonyms
1-(4-cyanophenyl)-3-(4-methoxyphenyl)ureaRefChem:425359107676-56-2666-033-3NSC376414AKOS000181430NSC-376414
Database identifiers
- CAS
107676-56-2- PubChem CID
- 341920
- EC Number
- 666-033-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…