UCSF

ZINC02545418

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: 1-(3-Methoxy-4-nitrophenyl)ethanone 1-(3-Methoxy-4-nitrophenyl)ethanone

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CAS Numbers: 22106-39-4 , [22106-39-4]

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) 1.78 5.69 -11.93 0 5 0 72 195.174 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 71 - 73 KeyOrganics
MP 71-73° Matrix Scientific
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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