Spiro[9H-fluorene-9,4'-piperidine]-1'-carboxylic acid, 2,7-dibromo-, 1,1-dimethylethyl ester
化学名:Spiro[9H-fluorene-9,4'-piperidine]-1'-carboxylic acid, 2,7-dibromo-, 1,1-dimethylethyl ester
CAS番号.1616113-98-4
英語名:Spiro[9H-fluorene-9,4'-piperidine]-1'-carboxylic acid, 2,7-dibromo-, 1,1-dimethylethyl ester
CBNumberCB73360403
MFC22H23Br2NO2
MW493.23
MOL File1616113-98-4.mol
Spiro[9H-fluorene-9,4'-piperidine]-1'-carboxylic acid, 2,7-dibromo-, 1,1-dimethylethyl ester物理性質
沸点 | 555.5±50.0 °C(Predicted) |
比重(密度) | 1.58±0.1 g/cm3(Predicted) |
酸解離定数(Pka) | -0.81±0.20(Predicted) |
InChI | InChI=1S/C22H23Br2NO2/c1-21(2,3)27-20(26)25-10-8-22(9-11-25)18-12-14(23)4-6-16(18)17-7-5-15(24)13-19(17)22/h4-7,12-13H,8-11H2,1-3H3 |
InChIKey | MHXUPJUFZFNWKC-UHFFFAOYSA-N |
SMILES | C12(CCN(C(OC(C)(C)C)=O)CC1)C1=C(C=CC(Br)=C1)C1=C2C=C(Br)C=C1 |