549488-53-1
4-CHLORO-8-(1-METHYLETHYL)-5H-PYRIMIDO[5,4-B]INDOLE
Name4-CHLORO-8-(1-METHYLETHYL)-5H-PYRIMIDO[5,4-B]INDOLE
1Identification
【Name】
4-CHLORO-8-(1-METHYLETHYL)-5H-PYRIMIDO[5,4-B]INDOLE
【CAS】
【MDL】
MFCD17013900
【English Synonyms】
【Formula】
C13 H12 Cl N3
【MolWeight】
245.712
【Inchi】
InChI=1S/C13H12ClN3/c1-7(2)8-3-4-10-9(5-8)11-12(17-10)13(14)16-6-15-11/h3-7,17H,1-2H3
【InChIKey】
InChIKey=AWQLRHNJDOETKS-UHFFFAOYSA-N
【SMILES】
CC(C)c1ccc2c(c1)c3c([nH]2)c(ncn3)Cl
【MOL File】
4-CHLORO-8-(1-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-8-(1-METHYLETHYL)-5H-PYRIMIDO[5,4-B]INDOLE.cml