UCSF

ZINC02566616

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: Methyl 4-bromo-3-nitrobenzoate Methyl 4-bromo-3-nitrobenzoate

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CAS Numbers: 2363-16-8 , [2363-16-8]

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) 2.80 2.12 -9.62 0 5 0 72 260.043 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 102-103° Oakwood Chemical
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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