UCSF

ZINC26894744

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 12 Yes

Popular Name: Methyl 4-bromo-2-methylbenzoate Methyl 4-bromo-2-methylbenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 99548-55-7 , [99548-55-7]

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) 2.96 6.32 -4.09 0 2 0 26 229.073 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 9 - 11 Enamine Building Blocks
MP 9...11 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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