UCSF

ZINC01681234

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Substance Information

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

Popular Name: 2-Chloro-6-nitrotoluene 2-Chloro-6-nitrotoluene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 83-42-1 , [83-42-1]

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) 2.93 1.77 -5.8 0 3 0 46 171.583 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 238? Alfa-Aesar
Boiling_Point 238° Alfa-Aesar
BP 241 TCI
MP 34 - 36 Enamine Building Blocks
Melting_Point 34-38? Alfa-Aesar
Melting_Point 34-38° Alfa-Aesar
MP 34...36 Enamine Building Blocks
MP 38 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem

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