57729-86-9
2,4-DINITRO-N-(2,4,6-TRIBROMOPHENYL)-6-(TRIFLUOROMETHYL)BENZENAMINE
Name2,4-DINITRO-N-(2,4,6-TRIBROMOPHENYL)-6-(TRIFLUOROMETHYL)BENZENAMINE
FormulaC13 H5 Br3 F3 N3 O4
1Identification
【Name】
2,4-DINITRO-N-(2,4,6-TRIBROMOPHENYL)-6-(TRIFLUOROMETHYL)BENZENAMINE
【CAS】
【MDL】
MFCD01733227
【English Synonyms】
【Formula】
C13 H5 Br3 F3 N3 O4
【MolWeight】
563.906
【Inchi】
InChI=1S/C13H5Br3F3N3O4/c14-5-1-8(15)12(9(16)2-5)20-11-7(13(17,18)19)3-6(21(23)24)4-10(11)22(25)26/h1-4,20H
【InChIKey】
InChIKey=INVHIPJJDSPNJY-UHFFFAOYSA-N
【SMILES】
c1c(cc(c(c1C(F)(F)F)Nc2c(cc(cc2Br)Br)Br)[N+](=O)[O-])[N+](=O)[O-]
【MOL File】
2,4-DINITRO-N-(2,4,6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DINITRO-N-(2,4,6-TRIBROMOPHENYL)-6-(TRIFLUOROMETHYL)BENZENAMINE.cml