| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 5th, 2005 | 13 | Yes |
Popular Name: 2-(4-Bromo-3-methylphenoxy)acetic acid 2-(4-Bromo-3-methylphenoxy)aceti…
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CAS Numbers: , 90971-89-4 , [90971-89-4]
(4-bromo-3-methylphenoxy)acetic acid
2-(4-bromo-3-methylphenoxy)aceticacid
| 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) | 2.43 | 0.48 | -44.33 | 0 | 3 | -1 | 49 | 244.064 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 178° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.