|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
1
Total Number of Articles : 1
|
| PubChem |
128718
|
| Molecular Formula |
C9H5F3N2O2 |
| SMILES |
C1=CC(=CC=C1C(=O)O)C2(N=N2)C(F)(F)F |
| InChI |
InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16) |
| synonyms |
- 85559-46-2
- 4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]BENZOIC ACID
- 4-(3-(trifluoromethyl)-3h-diazirin-3-yl)benzoic acid
- 4-(1-Azi-2,2,2-trifluoroethyl)benzoic Acid
- 4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid
- TDBA
- 4-(3-Trifluoromethyldiazirino)benzoic acid
- ES9VAY6FMP
- 4-(1-Azi-2,2,2-trifluoroethyl)benzoate
- Benzoic acid, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
- p-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzoic acid;4-(3-Trifluoromethyldiazirino)benzoic acid;TDBA
- Benzoic acid, 4-(3-(trifluoromethyl)-3H-diazirin-3-yl)-
- 4-Atfeb
- 4-[3-(trifluoromethyl)-3h-diaziren-3-yl]benzoic acid
- UNII-ES9VAY6FMP
- 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoicAcid
- SCHEMBL2380170
- DTXSID00234747
- MFCD00236809
- AKOS027320573
- AS-44059
- SY055461
- CS-0008640
- FT-0675532
- T2820
- EN300-1697722
- A901502
Click to show/hide the synonyms
|
| Properties |
| Property |
Value |
| MW |
230.14 g/mol |
| HBD |
1 |
| HBA |
7 |
| Rotatable Bond Count |
2 |
| Exact Mass |
230.03031189 g/mol |
| Monoisotopic Mass |
230.03031189 g/mol |
| Heavy Atom Count |
16 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
326 |
| xlogp |
2.4 |
| Topological Polar Surface Area |
62 |
|