UCSF

ZINC02599125

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 13 No

Popular Name: Methyl 4-bromo-2-bromomethylbenzoate Methyl 4-bromo-2-bromomethylbenz…

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CAS Numbers: 78471-43-9 , [78471-43-9]

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) 3.21 6.96 -4.37 0 2 0 26 307.969 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 76-78? Alfa-Aesar
MP 76-78° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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