121218-42-6
5H-PYRIMIDO[5,4-B]INDOLE, 4-CHLORO-7,8-DIMETHOXY, HYDROCHLORIDE
Name5H-PYRIMIDO[5,4-B]INDOLE, 4-CHLORO-7,8-DIMETHOXY, HYDROCHLORIDE
FormulaC12 H10 Cl N3 O2 . Cl H
1Identification
【Name】
5H-PYRIMIDO[5,4-B]INDOLE, 4-CHLORO-7,8-DIMETHOXY, HYDROCHLORIDE
【CAS】
【MDL】
MFCD17018621
【English Synonyms】
【Formula】
C12 H10 Cl N3 O2 . Cl H
【MolWeight】
300.144
【Inchi】
InChI=1S/C12H10ClN3O2.ClH/c1-17-8-3-6-7(4-9(8)18-2)16-11-10(6)14-5-15-12(11)13;/h3-5,16H,1-2H3;1H
【InChIKey】
InChIKey=KADMPTVVWHYIET-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1OC)[nH]c3c2ncnc3Cl.Cl
【MOL File】
5H-PYRIMIDO[5,4-B]IN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5H-PYRIMIDO[5,4-B]INDOLE, 4-CHLORO-7,8-DIMETHOXY, HYDROCHLORIDE.cml