UCSF

ZINC00330043

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 13 No

Popular Name: 2-Bromo-3-nitrobenzoic acid 2-Bromo-3-nitrobenzoic acid

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CAS Numbers: 573-54-6 , [573-54-6]

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) 2.18 0.59 -45.29 0 5 -1 85 245.008 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 184 - 186 Enamine Building Blocks
Melting_Point 184-186? Alfa-Aesar
MP 184-186° Matrix Scientific
MP 184...186 Enamine Building Blocks
MP 188 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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