UCSF

ZINC00167449

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 13 No

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 403-21-4 , 453-21-4 , [403-21-4]

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) 1.90 4.81 -37.67 0 5 -1 86 184.102 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 173-176? Alfa-Aesar
Melting_Point 173-176° Alfa-Aesar
melting_point 174 - 175 KeyOrganics
M.P 174-175C Indofine
MP 174-175° Matrix Scientific
MP 175 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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