| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 12 | Yes |
Popular Name: Methyl 2-iodo-6-methylbenzoate Methyl 2-iodo-6-methylbenzoate
Find On: PubMed — Wikipedia — Google
CAS Number: 103440-55-7
Benzoic acid, 2-iodo-6-methyl-, methyl ester
BENZOIC ACID,2-IODO-6-METHYL-,METHYL ESTER
| 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) | 3.21 | 6.84 | -6.97 | 0 | 2 | 0 | 26 | 276.073 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.