6B1
Summary
Name: | (5,6-dichloro-1H-benzimidazol-2-yl)methanol |
Formula: | C8 H6 Cl2 N2 O |
Formal charge: | 0 |
Formula weight: | 217.052 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (5,6-dichloro-1H-benzimidazol-2-yl)methanol |
OpenEye OEToolkits | 2.0.4 | [5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methanol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(cc1nc(nc1cc2Cl)CO)Cl |
InChI | InChI | 1.03 | InChI=1S/C8H6Cl2N2O/c9-4-1-6-7(2-5(4)10)12-8(3-13)11-6/h1-2,13H,3H2,(H,11,12) |
InChIKey | InChI | 1.03 | GOUGSJWBRLTBDO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OCc1[nH]c2cc(Cl)c(Cl)cc2n1 |
SMILES | CACTVS | 3.385 | OCc1[nH]c2cc(Cl)c(Cl)cc2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1c2c(cc(c1Cl)Cl)nc([nH]2)CO |
SMILES | OpenEye OEToolkits | 2.0.4 | c1c2c(cc(c1Cl)Cl)nc([nH]2)CO |