N-Isopropyl 3-fluorobenzamide
Basic information
- CAS
459218-95-2- Standard SMILES
CC(C)NC(=O)c1cccc(F)c1- InChIKey
ZNFBPSJICUZBIX-UHFFFAOYSA-N- Molecular formula
- C10H12FNO
- Average molar mass
- 181.21 g/mol
- Monoisotopic mass
- 181.09029217
Names & identifiers
- Preferred name
- N-Isopropyl 3-fluorobenzamide
- IUPAC
- 3-fluoro-N-propan-2-ylbenzamide
- English name
- 3-Fluoro-N-isopropylbenzamide
- Molecular formula
- C10H12FNO
- Molecular weight
- 181.21
Names & synonyms
459218-95-2N-ISOPROPYL 3-FLUOROBENZAMIDE3-Fluoro-N-isopropylbenzamide3-fluoro-N-propan-2-ylbenzamideMFCD013418583-fluoro-N-isopropyl-benzamideSCHEMBL13702132SCHEMBL29518963DTXSID504042563-fluoro-N-(propan-2-yl)benzamideN-ISOPROPYL-3-FLUOROBENZAMIDEAKOS002944921
Show more names
Benzamide, 3-fluoro-N-(1-methylethyl)-
BS-23772DB-371575
Database identifiers
- CAS
459218-95-2- PubChem CID
- 4559545
- DTXSID
DTXSID50404256
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
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
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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