UCSF

ZINC00169610

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 No

Popular Name: ethyl 2-(2-bromoacetyl)benzenecarboxylate ethyl 2-(2-bromoacetyl)benzeneca…

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CAS Numbers: 133993-34-7 , [133993-34-7]

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) 2.36 1.74 -9.63 0 3 0 43 271.11 5 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 60 - 62 KeyOrganics
MP 60-62° Matrix Scientific
Purity 95+% Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT, KEEP COLD Matrix Scientific
Warnings Irritant/Store in Freezer Matrix Scientific

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