400077-07-8
3-(4-CHLOROPHENYL)-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE
Name3-(4-CHLOROPHENYL)-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE
1Identification
【Name】
3-(4-CHLOROPHENYL)-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE
【CAS】
【MDL】
MFCD00665648
【English Synonyms】
【Formula】
C12 H11 Cl N2
【MolWeight】
218.686
【Inchi】
InChI=1S/C12H11ClN2/c13-9-6-4-8(5-7-9)12-10-2-1-3-11(10)14-15-12/h4-7H,1-3H2,(H,14,15)
【InChIKey】
InChIKey=GDOOAZBXNLWPMU-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2c3c(n[nH]2)CCC3)Cl
【MOL File】
3-(4-CHLOROPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-CHLOROPHENYL)-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE.cml