UCSF

ZINC02390027

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 11 Yes

Popular Name: 4-Bromo-2-chlorobenzoic acid 4-Bromo-2-chlorobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59748-90-2 , 59748-92-4 , [59748-90-2]

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) 2.93 -0.15 -43.55 0 2 -1 40 234.456 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 171 - 175 Enamine Building Blocks
MP 171...175 Enamine Building Blocks
MP 172 - 174 Enamine Building Blocks
Melting_Point 172-174? Alfa-Aesar
Melting_Point 172-174° Alfa-Aesar
MP 173 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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