298703-18-1
1-METHYL-4-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE HYDROCHLORIDE
Name1-METHYL-4-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE HYDROCHLORIDE
pro_formulaC12 H14 F3 N3 O2 . Cl H
1Identification
【Name】
1-METHYL-4-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD01208354
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H14 F3 N3 O2 . Cl H
【pro_molWeight】
325.716
【Inchi】
InChI=1S/C12H14F3N3O2.ClH/c1-16-4-6-17(7-5-16)10-3-2-9(12(13,14)15)8-11(10)18(19)20;/h2-3,8H,4-7H2,1H3;1H
【InChIKey】
InChIKey=JPGOHCVWKGBVBS-UHFFFAOYSA-N
【SMILES】
CN1CCN(CC1)c2ccc(cc2[N+](=O)[O-])C(F)(F)F.Cl
【MOL File】
1-METHYL-4-[2-NITRO-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-METHYL-4-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE HYDROCHLORIDE.cml