N-(2-Isopropylphenyl)-2-nitrobenzamide
Basic information
- CAS
102630-99-9- Standard SMILES
CC(C)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]- InChIKey
XKPRGOSIXUZKAC-UHFFFAOYSA-N- Molecular formula
- C16H16N2O3
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.11609238
Names & identifiers
- Preferred name
- N-(2-Isopropylphenyl)-2-nitrobenzamide
- IUPAC
- 2-nitro-N-(2-propan-2-ylphenyl)benzamide
Names & synonyms
N-(2-Isopropylphenyl)-2-nitrobenzamideRefChem:825515102630-99-9657-437-0ZINC00122729Oprea1_806533AKOS001299197ST012496N-[2-(methylethyl)phenyl](2-nitrophenyl)carboxamideZ30626502
Database identifiers
- CAS
102630-99-9- PubChem CID
- 720906
- EC Number
- 657-437-0
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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