| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 14 | Yes |
Popular Name: 2-Amino-4-(trifluoromethyl)benzoic acid 2-Amino-4-(trifluoromethyl)benzo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 402-13-1 , [402-13-1]
2-Amino-4-(Trifluoromethyl)BenzoicAcid
2-Amino-4-trifluoromethylbenzoic acid
AMINOTRIFLUOROMETHYLBENZOICACI
| 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) | 2.34 | 4.15 | -39.8 | 2 | 3 | -1 | 66 | 204.127 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.28 | 4.19 | -12.65 | 3 | 5 | 0 | 81 | 234.255 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 173 - 175 | Enamine Building Blocks |
| MP | 173...175 | Enamine Building Blocks |
| MP | 175 | TCI |
| MP | 175 - 176 | Enamine Building Blocks |
| MP | 175-176° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 96+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.