UCSF

ZINC02242599

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 14 No

Popular Name: 4-Butoxybenzoyl chloride 4-Butoxybenzoyl chloride

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CAS Number: 33863-86-4

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) 3.88 1.54 -3.98 0 2 0 26 212.676 5 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 161-162?/9mm Alfa-Aesar
Boiling_Point 161-162°/9mm Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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