JZ6
Summary
Name: | 4-chloro-1H-pyrazole |
Formula: | C3 H3 Cl N2 |
Formal charge: | 0 |
Formula weight: | 102.522 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.6.1 | 4-chloro-1H-pyrazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | Clc1c[nH]nc1 |
SMILES | CACTVS | 3.352 | Clc1c[nH]nc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1c(cn[nH]1)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1c(cn[nH]1)Cl |
InChI | InChI | 1.03 | InChI=1S/C3H3ClN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6) |
InChIKey | InChI | 1.03 | BADSZRMNXWLUKO-UHFFFAOYSA-N |