1-(3-Acetylphenyl)-3-(4-fluoro-3-nitrophenyl)urea
Basic information
- CAS
194784-45-7- Standard SMILES
CC(=O)c1cccc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1- InChIKey
UHEOWLKUOMPKJM-UHFFFAOYSA-N- Molecular formula
- C15H12FN3O4
- Average molar mass
- 317.27 g/mol
- Monoisotopic mass
- 317.08118403
Names & identifiers
- Preferred name
- 1-(3-Acetylphenyl)-3-(4-fluoro-3-nitrophenyl)urea
- IUPAC
- 1-(3-acetylphenyl)-3-(4-fluoro-3-nitrophenyl)urea
Names & synonyms
1-(3-acetylphenyl)-3-(4-fluoro-3-nitrophenyl)ureaNSC205751AKOS024339621NSC-205751
Database identifiers
- CAS
194784-45-7- PubChem CID
- 307640
- EC Number
- 118-640-5
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 468
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
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Related reactions
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Compound notes
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