625126-83-2
7-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDRO-5-NITROISOQUINOLINE HYDROCHLORIDE
Name7-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDRO-5-NITROISOQUINOLINE HYDROCHLORIDE
FormulaC10 H9 F3 N2 O2 . Cl H
1Identification
【Name】
7-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDRO-5-NITROISOQUINOLINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD09835510
【English Synonyms】
【Formula】
C10 H9 F3 N2 O2 . Cl H
【MolWeight】
282.648
【Inchi】
InChI=1S/C10H9F3N2O2.ClH/c11-10(12,13)7-3-6-5-14-2-1-8(6)9(4-7)15(16)17;/h3-4,14H,1-2,5H2;1H
【InChIKey】
InChIKey=VEQZQAWEESZUCL-UHFFFAOYSA-N
【SMILES】
c1c(cc(c2c1CNCC2)[N+](=O)[O-])C(F)(F)F.Cl
【MOL File】
7-(TRIFLUOROMETHYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
7-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDRO-5-NITROISOQUINOLINE HYDROCHLORIDE.cml