UCSF

ZINC01641625

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 No

Popular Name: Isopropyl chloroacetate Isopropyl chloroacetate

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CAS Number: 105-48-6

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) 1.52 4.39 -5.87 0 2 0 26 136.578 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 149-150? Alfa-Aesar
Boiling_Point 149-150° Alfa-Aesar
BP 150 TCI

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.