UCSF

ZINC35377344

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 11 No

Popular Name: 3-nitro-1,2-benzenediol 3-nitro-1,2-benzenediol

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CAS Numbers: 6665-98-1 , [6665-98-1]

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) 1.13 0.94 -10.86 2 5 0 86 155.109 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 85 - 86 KeyOrganics
MP 85-86° Matrix Scientific
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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