UCSF

ZINC01587867

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 No

Popular Name: 2-Chloro-6-nitrobenzoic acid 2-Chloro-6-nitrobenzoic acid

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CAS Numbers: 5344-49-0 , [5344-49-0]

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) 2.05 1.04 -63.48 0 5 -1 85 200.557 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 161-166? Alfa-Aesar
Melting_Point 161-166° Alfa-Aesar
MP 238-240° Matrix Scientific
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% )

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