3-fluoro-N-(4-methoxyphenyl)benzamide
Basic information
- CAS
58955-03-6- Standard SMILES
COc1ccc(NC(=O)c2cccc(F)c2)cc1- InChIKey
QQHQVSLNPRAISI-UHFFFAOYSA-N- Molecular formula
- C14H12FNO2
- Average molar mass
- 245.25 g/mol
- Monoisotopic mass
- 245.08520679
Names & identifiers
- Preferred name
- 3-fluoro-N-(4-methoxyphenyl)benzamide
- IUPAC
- 3-fluoro-N-(4-methoxyphenyl)benzamide
- English name
- Benzamide, 3-fluoro-N-(4-methoxyphenyl)-
- Molecular formula
- C14H12FNO2
- Molecular weight
- 245.25
Names & synonyms
3-fluoro-N-(4-methoxyphenyl)benzamide58955-03-6Benzamide, 3-fluoro-N-(4-methoxyphenyl)-Benzamide, N-(4-methoxyphenyl)-3-fluoro-CBMicro_030803Cambridge id 5246215Oprea1_038053QQHQVSLNPRAISI-UHFFFAOYSA-DTXSID80336293QQHQVSLNPRAISI-UHFFFAOYSA-NSTK414473AKOS002944507
Show more names
BIM-0030720.P001ST50558928(3-fluorophenyl)-N-(4-methoxyphenyl)carboxamideAA-504/07995027Z28139066InChI=1/C14H12FNO2/c1-18-13-7-5-12(6-8-13)16-14(17)10-3-2-4-11(15)9-10/h2-9H,1H3,(H,16,17)
Database identifiers
- CAS
58955-03-6- PubChem CID
- 532009
- DTXSID
DTXSID80336293- EC Number
- 146-320-5
- Nikkaji
- J879.355G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 299.4 · 299.4±25.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 12.43 · 12.43±0.70(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…