In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 27th, 2004 | 14 | Yes |
Popular Name: 3-Amino-5-(trifluoromethyl)benzoic acid 3-Amino-5-(trifluoromethyl)benzo…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 328-68-7 , [328-68-7]
3-Amino-5-(trifluoromethyl)benzoic acid 97%
3-Amino-5-(trifluoromethyl)benzoic acid, 97%
3-Amino-5-(Trifluoromethyl)BenzoicAcid
3-Amino-5-carboxybenzotrifluoride, 3-Carboxy-5-(trifluoromethyl)aniline
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) | 1.75 | 2.99 | -47.15 | 2 | 3 | -1 | 66 | 204.127 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 141 - 146 | Enamine Building Blocks |
MP | 141-142° | Matrix Scientific |
MP | 141...146 | Enamine Building Blocks |
Melting_Point | 142-146? | Alfa-Aesar |
Melting_Point | 142-146° | Alfa-Aesar |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.