571153-23-6
4-(2-ISOPROPYL-5-METHYL-PHENOXY)-3-NITRO-BENZALDEHYDE
Name4-(2-ISOPROPYL-5-METHYL-PHENOXY)-3-NITRO-BENZALDEHYDE
1Identification
【Name】
4-(2-ISOPROPYL-5-METHYL-PHENOXY)-3-NITRO-BENZALDEHYDE
【CAS】
【MDL】
MFCD03984491
【English Synonyms】
【Formula】
C17 H17 N O4
【MolWeight】
299.324
【Inchi】
InChI=1S/C17H17NO4/c1-11(2)14-6-4-12(3)8-17(14)22-16-7-5-13(10-19)9-15(16)18(20)21/h4-11H,1-3H3
【InChIKey】
InChIKey=PRRGXOYMRFGKCH-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)Oc2ccc(cc2[N+](=O)[O-])C=O)C(C)C
【MOL File】
4-(2-ISOPROPYL-5-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-ISOPROPYL-5-METHYL-PHENOXY)-3-NITRO-BENZALDEHYDE.cml