UCSF

ZINC00153287

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: Ethyl 3-nitrobenzoate Ethyl 3-nitrobenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 618-98-4 , [618-98-4]

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) 2.42 2.82 -10.4 0 5 0 72 195.174 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 297-298? Alfa-Aesar
Boiling_Point 297-298° Alfa-Aesar
Melting_Point 40-43? Alfa-Aesar
Melting_Point 40-43° Alfa-Aesar
MP 41-42° Matrix Scientific
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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