59261-41-5
4-METHYL-5-NITRO-1-ISOQUINOLINECARBALDEHYDE
Name4-METHYL-5-NITRO-1-ISOQUINOLINECARBALDEHYDE
1Identification
【Name】
4-METHYL-5-NITRO-1-ISOQUINOLINECARBALDEHYDE
【CAS】
【MDL】
MFCD22683160
【English Synonyms】
【Formula】
C11 H8 N2 O3
【MolWeight】
216.195
【Inchi】
InChI=1S/C11H8N2O3/c1-7-5-12-9(6-14)8-3-2-4-10(11(7)8)13(15)16/h2-6H,1H3
【InChIKey】
InChIKey=QZPMIMWEGMCUPZ-UHFFFAOYSA-N
【SMILES】
Cc1cnc(c2c1c(ccc2)[N+](=O)[O-])C=O
【MOL File】
4-METHYL-5-NITRO-1-I….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-5-NITRO-1-ISOQUINOLINECARBALDEHYDE.cml