4-Fluoro-N-isopropylbenzamide
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Basic information
- CAS
70001-45-5- Standard SMILES
CC(C)NC(=O)c1ccc(F)cc1- InChIKey
UAYKRRFVQXRMSI-UHFFFAOYSA-N- Molecular formula
- C10H12FNO
- Average molar mass
- 181.21 g/mol
- Monoisotopic mass
- 181.09029217
Names & identifiers
- Preferred name
- 4-Fluoro-N-isopropylbenzamide
- IUPAC
- 4-fluoro-N-propan-2-ylbenzamide
- English name
- 4-Fluoro-N-isopropylbenzamide
- Molecular formula
- C10H12FNO
- Molecular weight
- 181.21
Names & synonyms
4-Fluoro-N-isopropylbenzamide70001-45-5N-ISOPROPYL 4-FLUOROBENZAMIDE4-fluoro-N-propan-2-ylbenzamide4-fluoro-N-(propan-2-yl)benzamideMFCD01214150(4-fluorophenyl)-N-(methylethyl)carboxamide4-Fluoro-N-isopropyl-benzamideTimTec1_002988SCHEMBL2185023SCHEMBL6902415SCHEMBL9901941
Show more names
Benzamide, 4-fluoro-N-(1-methylethyl)-
DTXSID70349953HMS1542H18SBB089802STK042351AKOS000439117NCGC00326434-01BS-23774ST042809
Database identifiers
- CAS
70001-45-5- PubChem CID
- 669223
- DTXSID
DTXSID70349953- Nikkaji
- J3.123.583I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- 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
- 174
Physicochemical properties
- Melting point
- 142 · 142-144°C
- storage temp.
- 2 · Sealed in dry,2-8°C
- Hazard Codes
- Xi
- 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
- hazard_code
- Xi
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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