UCSF

ZINC00167153

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-Chloro-6-nitrobenzonitrile 2-Chloro-6-nitrobenzonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1707692.0 , 6575-07-1 , 6575/7/1 , 7/1/6575 12:00:00 AM , [6575-07-1]

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) 2.23 2.63 -13.92 0 4 0 70 182.566 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 116 - 118 Enamine Building Blocks
Melting_Point 118-124? Alfa-Aesar
Melting_Point 118-124° Alfa-Aesar
MP 119 - 121 Enamine Building Blocks
MP 119...121 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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