J58
Summary
Name: | 3-bromanyl-2~{H}-indazol-5-amine |
Formula: | C7 H6 Br N3 |
Formal charge: | 0 |
Formula weight: | 212.047 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.6 | 3-bromanyl-2~{H}-indazol-5-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C7H6BrN3/c8-7-5-3-4(9)1-2-6(5)10-11-7/h1-3H,9H2,(H,10,11) |
InChIKey | InChI | 1.03 | AOKHRTSXJINPPJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2n[nH]c(Br)c2c1 |
SMILES | CACTVS | 3.385 | Nc1ccc2n[nH]c(Br)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1N)c([nH]n2)Br |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1N)c([nH]n2)Br |