UCSF

ZINC01609488

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

Popular Name: 4-Fluoro-3-nitrotoluene 4-Fluoro-3-nitrotoluene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 446-11-7 , [446-11-7]

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) 2.44 2.69 -9.26 0 3 0 46 155.128 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 241 TCI
Boiling_Point 241? dec Alfa-Aesar
BP 241°/765mm Fluorochem
MP 28 - 30 Enamine Building Blocks
MP 28-30° Fluorochem
MP 28...30 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 99% 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.