UCSF

ZINC02272634

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2004 14 No

Popular Name: methyl 4-(2-bromoethoxy)benzoate methyl 4-(2-bromoethoxy)benzoate

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CAS Numbers: 56850-91-0 , [56850-91-0]

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) 2.90 1.46 -8.08 0 3 0 35 259.099 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 6.700000000000000e+001 - 6.900000000000000e+001 KeyOrganics
melting_point 67 - 69 KeyOrganics
MP 67-69° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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