UCSF

ZINC12336617

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 14 No

Popular Name: methyl 3-(2-bromoethoxy)benzenecarboxylate methyl 3-(2-bromoethoxy)benzenec…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59516-96-0 , [59516-96-0]

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) 2.88 1.44 -9.63 0 3 0 36 259.099 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 110°/0.05mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.