1-(4-Fluorophenyl)-3-phenylurea
Basic information
- CAS
330-98-3- Standard SMILES
O=C(Nc1ccccc1)Nc1ccc(F)cc1- InChIKey
NMUDSMIGLOAQKY-UHFFFAOYSA-N- Molecular formula
- C13H11FN2O
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.08554114
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-3-phenylurea
- IUPAC
- 1-(4-fluorophenyl)-3-phenylurea
- English name
- 1-(4-Fluorophenyl)-3-phenylurea
- Molecular formula
- C13H11FN2O
- Molecular weight
- 230.24
Names & synonyms
1-(4-fluorophenyl)-3-phenylurea330-98-3N-(4-fluorophenyl)-N'-phenylureaCHEMBL61477621-(4-Fluorophenyl)-3-phenyl-ureaNSC142105Cambridge id 5270556Oprea1_337805SCHEMBL11056635SCHEMBL28348692DTXSID70301258NMUDSMIGLOAQKY-UHFFFAOYSA-N
Show more names
Urea, N-(4-fluorophenyl)-N'-phenyl-
HMS1579K03BDBM50659106EBC-80191N-(4-Fluorophenyl)-N'-phenyl-ureaSTK979715AKOS002665726NSC-142105DS-008064
Database identifiers
- CAS
330-98-3- PubChem CID
- 285272
- DTXSID
DTXSID70301258- ChEMBL
CHEMBL6147762- Nikkaji
- J309.035C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 236 °C · 236 °C
- Boiling point
- 261.4 · 261.4±23.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- pka
- 13.43 · 13.43±0.70(Predicted)
- Comptox DTXSID
- 70301258 · DTXSID70301258
- HS Code
- 2924299090 · 2924299090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924299090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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