UUV
Summary
| Name: | 4-bromo-1-(2-methoxyethyl)-1H-pyrazole |
| Formula: | C6 H9 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 205.052 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-bromo-1-(2-methoxyethyl)-1H-pyrazole |
| OpenEye OEToolkits | 2.0.7 | 4-bromanyl-1-(2-methoxyethyl)pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1n(cc(c1)Br)CCOC |
| InChI | InChI | 1.03 | InChI=1S/C6H9BrN2O/c1-10-3-2-9-5-6(7)4-8-9/h4-5H,2-3H2,1H3 |
| InChIKey | InChI | 1.03 | SJIMZWZHTDHXRI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCn1cc(Br)cn1 |
| SMILES | CACTVS | 3.385 | COCCn1cc(Br)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCn1cc(cn1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCn1cc(cn1)Br |
