702673-02-7
ETHYL 2-NITRO-4-(TRIFLUOROMETHYL)BENZOATE
NameETHYL 2-NITRO-4-(TRIFLUOROMETHYL)BENZOATE
1Identification
【Name】
ETHYL 2-NITRO-4-(TRIFLUOROMETHYL)BENZOATE
【CAS】
【MDL】
MFCD12406841
【English Synonyms】
【Formula】
C10 H8 F3 N O4
【MolWeight】
263.17
【Inchi】
InChI=1S/C10H8F3NO4/c1-2-18-9(15)7-4-3-6(10(11,12)13)5-8(7)14(16)17/h3-5H,2H2,1H3
【InChIKey】
InChIKey=UDXSWRMABOCZPY-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
【MOL File】
ETHYL 2-NITRO-4-(TRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-NITRO-4-(TRIFLUOROMETHYL)BENZOATE.cml