UCSF

ZINC02013305

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 11 Yes

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21739-93-5 , 8/3/936 , 936-08-3

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) 2.93 -0.1 -42.93 0 2 -1 40 234.456 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 157-161? Alfa-Aesar
Melting_Point 157-161° Alfa-Aesar
MP 159-161° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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