119713-11-0
(3-Methyl-4-nitrophenyl)acetonitrile
Name(3-Methyl-4-nitrophenyl)acetonitrile
1Identification
【Name】
(3-Methyl-4-nitrophenyl)acetonitrile
【CAS】
【MDL】
【English Synonyms】
【Formula】
C9H8N2O2
【MolWeight】
176.172
【Inchi】
InChI=1S/C9H8N2O2/c1-7-6-8(4-5-10)2-3-9(7)11(12)13/h2-3,6H,4H2,1H3
【InChIKey】
InChIKey=TZKDDKCXHPQTSC-UHFFFAOYSA-N
【SMILES】
CC=1C=C(C=CC1[N+](=O)[O-])CC#N
【MOL File】
(3-Methyl-4-nitrophe….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
(3-Methyl-4-nitrophenyl)acetonitrile.cml