UCSF

ZINC02571659

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 No

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

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CAS Numbers: 99277-71-1 , N/A , [99277-71-1]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.73 0.52 -52.12 0 5 -1 85 245.008 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 163-164° Matrix Scientific
MP 165-169 Matrix Scientific
Melting_Point 165-169? Alfa-Aesar
Melting_Point 165-169° Alfa-Aesar
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% )

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