Basic information
- CAS
58955-00-3- Standard SMILES
O=C(Nc1cccc(Cl)c1)c1cccc(F)c1- InChIKey
OYJHAOCCKZFZBK-UHFFFAOYSA-N- Molecular formula
- C13H9ClFNO
- Average molar mass
- 249.67 g/mol
- Monoisotopic mass
- 249.0356698
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-3-fluorobenzamide
- IUPAC
- N-(3-chlorophenyl)-3-fluorobenzamide
Names & synonyms
N-(3-chlorophenyl)-3-fluorobenzamide58955-00-3Benzamide, N-(3-chlorophenyl)-3-fluoro-OYJHAOCCKZFZBK-UHFFFAOYSA-NSTL260071AKOS000503939ST45049937N-(3-chlorophenyl)(3-fluorophenyl)carboxamideAN-652/40132057
Database identifiers
- CAS
58955-00-3- PubChem CID
- 532008
- EC Number
- 146-236-9
- Nikkaji
- J879.348D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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