| SpectraBase Compound ID | KOX8BO5bpch |
|---|---|
| InChI | InChI=1S/C6H4ClNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H |
| InChIKey | BUMGQSCPTLELLS-UHFFFAOYSA-N |
| Mol Weight | 173.56 g/mol |
| Molecular Formula | C6H4ClNO3 |
| Exact Mass | 172.987971 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AJ5U0siLWA7 |
|---|---|
| Name | 2-Chloro-5-nitrophenol; 6-chloro-3-nitrophenol; phenol, 2-chloro-5-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.987970690 u |
| Formula | C6H4ClNO3 |
| InChI | InChI=1S/C6H4ClNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H |
| InChIKey | BUMGQSCPTLELLS-UHFFFAOYSA-N |
| SMILES | OC=1C(=CC=C(C1)[N+]([O-])=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.911556 |