122110-17-2
(1-METHYL-5-NITRO-1H-INDOL-3-YL)-ACETONITRILE
Name(1-METHYL-5-NITRO-1H-INDOL-3-YL)-ACETONITRILE
1Identification
【Name】
(1-METHYL-5-NITRO-1H-INDOL-3-YL)-ACETONITRILE
【CAS】
【MDL】
MFCD03206549
【English Synonyms】
【Formula】
C11 H9 N3 O2
【MolWeight】
215.211
【Inchi】
InChI=1S/C11H9N3O2/c1-13-7-8(4-5-12)10-6-9(14(15)16)2-3-11(10)13/h2-3,6-7H,4H2,1H3
【InChIKey】
InChIKey=MSGGUCUSJVYGQT-UHFFFAOYSA-N
【SMILES】
Cn1cc(c2c1ccc(c2)[N+](=O)[O-])CC#N
【MOL File】
(1-METHYL-5-NITRO-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1-METHYL-5-NITRO-1H-INDOL-3-YL)-ACETONITRILE.cml