UCSF

ZINC00225599

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 No

Popular Name: 4-Methyl-3-nitrobenzamide 4-Methyl-3-nitrobenzamide

Find On: PubMed — Wikipedia — Google

CAS Number: 19013-11-7

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) 1.09 2.45 -15.75 2 5 0 89 180.163 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 164-167? Alfa-Aesar
Melting_Point 164-167° Alfa-Aesar
Purity 98% APIChem
PUBCHEM_PATENT_ID WO2000047194A2; WO2000047578A1 IBM Patent Data

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