Basic information
- CAS
102630-97-7- Standard SMILES
Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1C- InChIKey
KUXBJIXXVRBBIY-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.10044231
Names & identifiers
- Preferred name
- N-(3,4-dimethylphenyl)-2-nitrobenzamide
- IUPAC
- N-(3,4-dimethylphenyl)-2-nitrobenzamide
Names & synonyms
N-(3,4-dimethylphenyl)-2-nitrobenzamideOprea1_070195Oprea1_524139DTXSID001278125STK010831AKOS001306015102630-97-7ST010767AG-690/11171155N-(3,4-dimethylphenyl)(2-nitrophenyl)carboxamideZ27803713
Database identifiers
- CAS
102630-97-7- PubChem CID
- 710784
- DTXSID
DTXSID001278125- EC Number
- 169-498-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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