UCSF

ZINC02563646

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Substance Information

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

Popular Name: 4-Bromo-3-nitrobenzoic acid 4-Bromo-3-nitrobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6319-40-0 , [6319-40-0]

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) 2.54 0.57 -41.32 0 5 -1 85 245.008 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 199-206? Alfa-Aesar
MP 202-204° Oakwood Chemical
MP 204 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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