23046-69-7
1H-PYRIDO[3,4-B]INDOLE, 6-BROMO-2,3,4,9-TETRAHYDRO-
Name1H-PYRIDO[3,4-B]INDOLE, 6-BROMO-2,3,4,9-TETRAHYDRO-
1Identification
【Name】
1H-PYRIDO[3,4-B]INDOLE, 6-BROMO-2,3,4,9-TETRAHYDRO-
【CAS】
【MDL】
MFCD00046881
【English Synonyms】
【Formula】
C11 H11 Br N2
【MolWeight】
251.126
【Inchi】
InChI=1S/C11H11BrN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-2,5,13-14H,3-4,6H2
【InChIKey】
InChIKey=WUTVTUWSFMYRJK-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1Br)c3c([nH]2)CNCC3
【MOL File】
1H-PYRIDO[3,4-B]INDO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRIDO[3,4-B]INDOLE, 6-BROMO-2,3,4,9-TETRAHYDRO-.cml