UCSF

ZINC71789844

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 9 Yes

Popular Name: Octamethylnickelocene dichloride Octamethylnickelocene dichloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 101932-75-6 , 164528-22-7 , 4249-10-9 , 79019-60-6 , 82066-37-3

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 6.59 -1.87 0 0 0 0 122.211 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 106-111? Alfa-Aesar
Melting_Point 106-111° Alfa-Aesar
Melting_Point 107-112? Alfa-Aesar
Melting_Point 107-112° Alfa-Aesar
BP [°C] 142 Acros Organics
Melting_Point 98-112? Alfa-Aesar
Melting_Point 98-112° Alfa-Aesar
PUBCHEM_PATENT_ID EP0492282B1; EP0497207B1; EP0505890B1; EP0505972B1; EP0505973B1; EP0535582A1; EP0535582B1; EP0543022B1; EP0554574A1; EP0566068B1; EP0584646A2; EP0584646B1; EP0591841B1; EP0617052B1; EP0655467A1; EP0659774A3; EP0659774B1; EP0659775B1; EP0675139A1; EP069861 IBM Patent Data
H phrase H226: Flammable liquid and vapor Acros Organics
P phrase P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking Acros Organics
R phrase R10: Flammable. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.