UCSF

ZINC00153436

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Popular Name: methyl 4-[(3,4-dichlorobenzyl)oxy]benzoate methyl 4-[(3,4-dichlorobenzyl)ox…

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CAS Numbers: , 84404-04-6 , N/A

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) 5.04 2.26 -8.67 0 3 0 35 311.164 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 120 - 122 KeyOrganics
MP 120-122° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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