UCSF

ZINC01662528

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

Popular Name: 3,4,5-Trimethoxybenzyl chloride 3,4,5-Trimethoxybenzyl chloride

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CAS Numbers: 3840-30-0 , 53811-44-2 , [3840-30-0]

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) 2.14 2.02 -8.26 0 3 0 27 216.664 4 ↓

Vendor Notes

Note Type Comments Provided By
SOLUBILITY .; methanol: 0.1 g/mL, clear Indofine
BP 110°/0.1 Torr Matrix Scientific
M.P 60-63 °C Indofine
MP 61-63° Matrix Scientific
Purity 98% Matrix Scientific
Warnings Corrosive/Refrigerate/Lachrymator Matrix Scientific
Warnings KEEP COLD, LACHRYMATOR, CORROSIVE Matrix Scientific

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