UCSF

ZINC02382624

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 No

Popular Name: 3-Chloro-4-nitrobenzoic acid 3-Chloro-4-nitrobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 39608-47-4 , 96-99-1 , [39608-47-4]

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) 2.41 5.15 -37.54 0 5 -1 86 200.557 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 184-185° Oakwood Chemical
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.