2-hydroxy-6-nitro-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-hydroxy-6-nitro-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
2-hydroxy-6-nitro-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | 8014-8852 |
Compound Name: | 2-hydroxy-6-nitro-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one |
Molecular Weight: | 278.14 |
Molecular Formula: | C9 H5 F3 N2 O5 |
Smiles: | c1cc2c(cc1[N+]([O-])=O)NC(C(C(F)(F)F)(O)O2)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.4323 |
logD: | 1.4308 |
logSw: | -2.2832 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.181 |
InChI Key: | CATUPQKMCLYNGQ-MRVPVSSYSA-N |