116588-66-0
6-CHLORO-9-METHYL-8-PHENYL-9H-PURINE
Name6-CHLORO-9-METHYL-8-PHENYL-9H-PURINE
1Identification
【Name】
6-CHLORO-9-METHYL-8-PHENYL-9H-PURINE
【CAS】
【MDL】
MFCD16987858
【English Synonyms】
【Formula】
C12 H9 Cl N4
【MolWeight】
244.684
【Inchi】
InChI=1S/C12H9ClN4/c1-17-11(8-5-3-2-4-6-8)16-9-10(13)14-7-15-12(9)17/h2-7H,1H3
【InChIKey】
InChIKey=IXIVKGRJNYFEAI-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(ncn2)Cl)nc1c3ccccc3
【MOL File】
6-CHLORO-9-METHYL-8-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-CHLORO-9-METHYL-8-PHENYL-9H-PURINE.cml