UCSF

ZINC02562425

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 No

Popular Name: Methyl 4-(bromomethyl)-3-methoxybenzoate Methyl 4-(bromomethyl)-3-methoxy…

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CAS Numbers: 70264-94-7 , [70264-94-7]

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) 2.80 1.87 -6.83 0 3 0 35 259.099 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 87-89° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks
MP 92-94° Matrix Scientific
melting_point 94 - 96 KeyOrganics
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

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