PBR
Summary
Name: | PENTABROMOPHENOL |
Formula: | C6 H Br5 O |
Formal charge: | 0 |
Formula weight: | 488.592 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | pentabromophenol |
OpenEye OEToolkits | 1.5.0 | 2,3,4,5,6-pentabromophenol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1c(O)c(Br)c(Br)c(Br)c1Br |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Br)c(Br)c(Br)c(Br)c1Br |
SMILES | CACTVS | 3.341 | Oc1c(Br)c(Br)c(Br)c(Br)c1Br |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1Br)Br)Br)Br)Br)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1(c(c(c(c(c1Br)Br)Br)Br)Br)O |
InChI | InChI | 1.03 | InChI=1S/C6HBr5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
InChIKey | InChI | 1.03 | SVHOVVJFOWGYJO-UHFFFAOYSA-N |