UCSF

ZINC02140834

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 13 No

Popular Name: 1-(4-bromophenyl)-4-chlorobutan-1-one 1-(4-bromophenyl)-4-chlorobutan-…

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CAS Numbers: 4559-96-0 , [4559-96-0]

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) 3.42 0.79 -7.93 0 1 0 17 261.546 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 35-38? Alfa-Aesar
Melting_Point 35-38° Alfa-Aesar
MP 36 - 38 Enamine Building Blocks
MP 36...38 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation 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
Hazard XI: Irritant Acros Organics

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