546102-60-7
2-BROMO-12,13-DIHYDRO-5H-INDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7(6H)-DIONE
Name2-BROMO-12,13-DIHYDRO-5H-INDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7(6H)-DIONE
1Identification
【Name】
2-BROMO-12,13-DIHYDRO-5H-INDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7(6H)-DIONE
【CAS】
【MDL】
MFCD08702689
【English Synonyms】
【Formula】
C20 H10 Br N3 O2
【MolWeight】
404.222
【Inchi】
InChI=1S/C20H10BrN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)
【InChIKey】
InChIKey=NMFKDDRQSNVETB-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c3c4c(c5c6ccc(cc6[nH]c5c3[nH]2)Br)C(=O)NC4=O
【MOL File】
2-BROMO-12,13-DIHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BROMO-12,13-DIHYDRO-5H-INDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7(6H)-DIONE.cml