UCSF

ZINC01431720

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 15 No

Popular Name: 4,5-Dimethoxy-2-nitrobenzonitrile 4,5-Dimethoxy-2-nitrobenzonitrile

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CAS Numbers: 102714-71-6 , [102714-71-6]

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) 1.23 4.53 -10.35 0 6 0 88 208.173 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 164-168° Oakwood Chemical
MP 167 TCI
MP 195-197° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT, IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant/Irritant-Harmful Matrix Scientific

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