TBS
Summary
Name: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE |
Synonyms: | TETRABROMO-2-BENZOTRIAZOLE |
Formula: | C6 H Br4 N3 |
Formal charge: | 0 |
Formula weight: | 434.708 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 4,5,6,7-tetrabromo-1H-benzotriazole |
OpenEye OEToolkits | 1.5.0 | 4,5,6,7-tetrabromo-1H-benzotriazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc2c1c(nnn1)c(Br)c(Br)c2Br |
SMILES_CANONICAL | CACTVS | 3.341 | Brc1c(Br)c(Br)c2nn[nH]c2c1Br |
SMILES | CACTVS | 3.341 | Brc1c(Br)c(Br)c2nn[nH]c2c1Br |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2 |
InChI | InChI | 1.03 | InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13) |
InChIKey | InChI | 1.03 | OMZYUVOATZSGJY-UHFFFAOYSA-N |