UCSF

ZINC00164503

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 2-Chloro-5-nitrobenzonitrile 2-Chloro-5-nitrobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 11588-02-6 , 16588-02-6 , [16588-02-6]

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) 2.26 2.88 -7.32 0 4 0 70 182.566 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 104-107? Alfa-Aesar
Melting_Point 104-107° Alfa-Aesar
MP 105 - 107 Enamine Building Blocks
MP 105-107° Matrix Scientific
MP 105...107 Enamine Building Blocks
MP 107 TCI
BP 122 / 0.6 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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