UCSF

ZINC01680885

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

Popular Name: 4-Chloro-2-nitrotoluene 4-Chloro-2-nitrotoluene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 89-59-8 , [89-59-8]

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) 2.95 1.77 -6.22 0 3 0 46 171.583 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 115 / 11 TCI
Boiling_Point 242? Alfa-Aesar
Boiling_Point 242° Alfa-Aesar
Melting_Point 34-38? Alfa-Aesar
Melting_Point 34-38° Alfa-Aesar
MP 38 TCI
MP 38 - 39 Enamine Building Blocks
MP 38...39 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% APIChem

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