UCSF

ZINC00156416

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: Methyl 2-acetamido-5-bromobenzoate Methyl 2-acetamido-5-bromobenzoate

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CAS Number: 138825-96-4

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) 2.25 0.84 -6.74 1 4 0 55 272.098 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 131 - 135 Acros Organics
Melting_Point 132-135? Alfa-Aesar
Melting_Point 132-135° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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