2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide
Basic information
- CAS
175205-25-1- Standard SMILES
O=C(C=NO)Nc1ccc(OC(F)(F)F)cc1- InChIKey
FCMKVCIOAJDYFU-UHFFFAOYSA-N- Molecular formula
- C9H7F3N2O3
- Average molar mass
- 248.16 g/mol
- Monoisotopic mass
- 248.04087658
Names & identifiers
- Preferred name
- 2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide
- IUPAC
- 2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide
- English name
- 2-ISONITROSO-4'-(TRIFLUOROMETHOXY)ACETANILIDE 97
- Molecular formula
- C9H7F3N2O3
- Molecular weight
- 248.16
Names & synonyms
2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide2-ISONITROSO-4'-(TRIFLUOROMETHOXY)ACETANILIDE 97SCHEMBL9265165DTXSID70694137FCMKVCIOAJDYFU-UHFFFAOYSA-NCID 53395409alpha-Isonitroso-4-(trifluoromethoxy)acetanilide2-Isonitroso-4'-(trifluoromethoxy)acetanilide 97%Acetamide, 2-(hydroxyimino)-N-[4-(trifluoromethoxy)phenyl]-
Database identifiers
- CAS
175205-25-1- PubChem CID
- 53395409
- DTXSID
DTXSID70694137
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 148 · 148-152°C
- Density
- 1.429 · 1.429±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.629 · 8.629±0.10(predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- 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
- hazard_note
- Irritant
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Compound notes
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