Basic information
- CAS
329941-08-4- Standard SMILES
O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1- InChIKey
YKJJAYNPRVJKGJ-UHFFFAOYSA-N- Molecular formula
- C13H8BrClN2O3
- Average molar mass
- 355.57 g/mol
- Monoisotopic mass
- 353.9406819
Names & identifiers
- Preferred name
- N-(4-bromophenyl)-4-chloro-3-nitrobenzamide
- IUPAC
- N-(4-bromophenyl)-4-chloro-3-nitrobenzamide
Names & synonyms
N-(4-bromophenyl)-4-chloro-3-nitrobenzamide329941-08-4SCHEMBL1455196YKJJAYNPRVJKGJ-UHFFFAOYSA-NDTXSID001262083STK023566AKOS002974813ST010868DB-130268AB00082670-01N-(4-Bromo-phenyl)-4-chloro-3-nitro-benzamideSR-01000206788
Show more names
SR-01000206788-1N-(4-bromophenyl)(4-chloro-3-nitrophenyl)carboxamide
Database identifiers
- CAS
329941-08-4- PubChem CID
- 1068537
- DTXSID
DTXSID001262083- EC Number
- 141-047-8
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- 369
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (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
29 records
Compound notes
Loading…