In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 19th, 2010 | 12 | Yes |
Popular Name: 2-Bromo-4-fluoro-6-methylbenzoic acid 2-Bromo-4-fluoro-6-methylbenzoic…
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CAS Numbers: 1003709-47-4 , [1003709-47-4]
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) | 2.79 | 6.39 | -43.53 | 0 | 2 | -1 | 40 | 232.028 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 8.58 | -13.21 | 1 | 7 | 0 | 111 | 335.367 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Purity | 95% | Fluorochem |