UCSF

ZINC01670939

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 No

Popular Name: Ethyl alpha-bromophenylacetate Ethyl alpha-bromophenylacetate

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CAS Numbers: 2882-19-1 , [2882-19-1]

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) 2.87 7.37 -5.2 0 2 0 26 243.1 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 164?/30mm Alfa-Aesar
Boiling_Point 164°/30mm Alfa-Aesar
BP [°C] 89 - 92 (p=0.9 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R34: Causes burns. Acros Organics

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