UCSF

ZINC01512541

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 14 No

Popular Name: Ethyl 4-nitrobenzoate Ethyl 4-nitrobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 100-12-9 , 99-77-4 , [99-77-4]

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) 2.44 2.82 -6.51 0 5 0 72 195.174 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 182 TCI
MP 55 - 59 Enamine Building Blocks
Melting_Point 55-58? Alfa-Aesar
Melting_Point 55-58° Alfa-Aesar
MP 55...59 Enamine Building Blocks
Mp [°C] 56 - 59 Acros Organics
MP 57 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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