MKV
Summary
| Name: | 2,3,4-tribromo-1H-pyrrole |
| Formula: | C4 H2 Br3 N |
| Formal charge: | 0 |
| Formula weight: | 303.777 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,3,4-tribromo-1H-pyrrole |
| OpenEye OEToolkits | 2.0.7 | 2,3,4-tris(bromanyl)-1~{H}-pyrrole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(c(Br)c(Br)cn1)Br |
| InChI | InChI | 1.03 | InChI=1S/C4H2Br3N/c5-2-1-8-4(7)3(2)6/h1,8H |
| InChIKey | InChI | 1.03 | KYSLACCYHUAOAK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1[nH]cc(Br)c1Br |
| SMILES | CACTVS | 3.385 | Brc1[nH]cc(Br)c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(c([nH]1)Br)Br)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(c([nH]1)Br)Br)Br |
