N-(3-fluorophenyl)-4-methyl-3-nitrobenzamide
Basic information
- CAS
329940-20-7- Standard SMILES
Cc1ccc(C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-]- InChIKey
VTGOMJNADMTMBM-UHFFFAOYSA-N- Molecular formula
- C14H11FN2O3
- Average molar mass
- 274.25 g/mol
- Monoisotopic mass
- 274.07537038
Names & identifiers
- Preferred name
- N-(3-fluorophenyl)-4-methyl-3-nitrobenzamide
- IUPAC
- N-(3-fluorophenyl)-4-methyl-3-nitrobenzamide
- English name
- N-(3-fluorophenyl)-3-nitro-4-methylbenzamide
- Molecular formula
- C14H11FN2O3
- Molecular weight
- 274.25
Names & synonyms
N-(3-fluorophenyl)-4-methyl-3-nitrobenzamideOprea1_336132Oprea1_847130SCHEMBL27923742STK088630AKOS000673464ST010810N-(3-fluorophenyl)-3-nitro-4-methylbenzamideAG-690/11635155N-(3-fluorophenyl)(4-methyl-3-nitrophenyl)carboxamide329940-20-7Benzamide, N-(3-fluorophenyl)-4-methyl-3-nitro-
Database identifiers
- CAS
329940-20-7- PubChem CID
- 710823
- EC Number
- 169-522-5
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
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%)
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Related reactions
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Compound notes
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