UCSF

ZINC01670353

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: 3-Methyl-4-nitroanisole 3-Methyl-4-nitroanisole

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 5367-32-8 , [5367-32-8]

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) 2.33 1.96 -6.4 0 4 0 55 167.164 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 135 / 0.5 TCI
MP 48 - 50 Enamine Building Blocks
Melting_Point 48-50? Alfa-Aesar
Melting_Point 48-50° Alfa-Aesar
MP 50 - 52 Enamine Building Blocks
MP 50...52 Enamine Building Blocks
MP 51 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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