UCSF

ZINC08698489

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 12 No

Popular Name: 2-Methyl-5-nitrobenzaldehyde 2-Methyl-5-nitrobenzaldehyde

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CAS Number: 16634-91-6

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) 2.06 2.38 -7.37 0 4 0 63 165.148 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 49-51° Oakwood Chemical
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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