UCSF

ZINC02244195

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 14 No

Popular Name: 3-Methoxy-5-nitrobenzoic acid 3-Methoxy-5-nitrobenzoic acid

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CAS Numbers: 78238-12-7 , [78238-12-7]

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) 1.79 4.08 -44.93 0 6 -1 95 196.138 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 187-189° Oakwood Chemical
MP 190 - 194 Enamine Building Blocks
MP 191 - 193 Enamine Building Blocks
MP 191...193 Enamine Building Blocks
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% )