UCSF

ZINC14007945

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 10 Yes

Popular Name: 7-bromo-1H-indazole 7-bromo-1H-indazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 53857-58-2 , 845751-59-9 , [53857-58-2] , [845751-59-9]

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) 2.39 3.79 -5.55 1 2 0 29 197.035 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 123 - 125 KeyOrganics
MP 123-125° Matrix Scientific
MP 126-130° Oakwood Chemical
Melting_Point 127-128? Alfa-Aesar
Melting_Point 127-128° Alfa-Aesar
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US3988347; US4096333 IBM Patent Data

Activity (Go SEA)

Rings

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

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