UCSF

ZINC01686983

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 No

Popular Name: 1-Chloro-3-nitrobenzene 1-Chloro-3-nitrobenzene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 121-73-3 , 50907-57-8

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) 2.55 5.72 -6.1 0 3 0 46 157.556 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 235-236? Alfa-Aesar
Boiling_Point 235-236° Alfa-Aesar
Melting_Point 43-47? Alfa-Aesar
Melting_Point 43-47° Alfa-Aesar
MP 45 - 47 Enamine Building Blocks
MP 45...47 Enamine Building Blocks
MP 46 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.