UCSF

ZINC01562148

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 11 No

Popular Name: 2-Chloro-3-nitrotoluene 2-Chloro-3-nitrotoluene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3970-40-9 , [3970-40-9]

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 1.86 -8.48 0 3 0 46 171.583 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 147? Alfa-Aesar
BP 147° Oakwood Chemical
MP 21 - 23 Enamine Building Blocks
MP 21...23 Enamine Building Blocks
Melting_Point 21? Alfa-Aesar
MP 21° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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