UCSF

ZINC00157345

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Substance Information

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

Popular Name: Ethyl 2-nitrobenzoate Ethyl 2-nitrobenzoate

Find On: PubMed — Wikipedia — Google

CAS Number: 610-34-4

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) 2.58 2.8 -14.82 0 5 0 72 195.174 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 172-174?/18mm Alfa-Aesar
Boiling_Point 172-174°/18mm Alfa-Aesar
Melting_Point 26-30? Alfa-Aesar
Melting_Point 26-30° Alfa-Aesar

Activity (Go SEA)

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