| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 14 | Yes |
Popular Name: 2-Chloro-4-(trifluoromethyl)benzoic acid 2-Chloro-4-(trifluoromethyl)benz…
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CAS Numbers: 23228-45-7 , [23228-45-7]
2-Chloro-4-(trifluoromethyl)benzoic acid, 97%
2-Chloro-4-(trifluoromethyl)benzoic acid, JRD
2-Chloro-4-(trifluoromethyl)benzoic acid, JRD, 97%
2-Chloro-4-trifluoromethylbenzoic acid
2-Chloro-4-trifluoromethylbenzoicacid
4-Carboxy-3-chlorobenzotrifluoride
Benzoic acid, 2-chloro-4-(trifluoromethyl)-
BENZOIC ACID,2-CHLORO-4-(TRIFLUOROMETHYL)-
| 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) | 3.01 | 6.44 | -40.21 | 0 | 2 | -1 | 40 | 223.557 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 114 - 116 | MolMall (formerly Molecular Diversity Preservation International) |
| Melting_Point | 114-117? | Alfa-Aesar |
| MP | 114-117° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| MP | 96-98° | Oakwood Chemical |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.