UCSF

ZINC02164756

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 No

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

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1/4/394 , 394-01-4 , [394-01-4]

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) 2.08 2.02 -51.99 0 5 -1 85 184.102 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 130° Matrix Scientific
MP 140-145° Oakwood Chemical
MP 147-148° Matrix Scientific
Melting_Point 147-150? Alfa-Aesar
Melting_Point 147-150° Alfa-Aesar
MP 150 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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