UCSF

ZINC00164389

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 No

Popular Name: 4-chloro-2-nitrobenzoic acid 4-chloro-2-nitrobenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6280-88-2 , [6280-88-2]

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) 2.59 1.13 -52.46 0 5 -1 85 200.557 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 141-143° Oakwood Chemical
Melting_Point 142-146? Alfa-Aesar
Melting_Point 142-146° Alfa-Aesar
MP 143 - 145 Enamine Building Blocks
MP 143...145 Enamine Building Blocks
MP 145 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% APIChem
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.