129625-34-9
N-METHOXYCARBONYL N'-2-NITRO-4-TRIFLUOROMETHYLPHENYL THIOUREA
NameN-METHOXYCARBONYL N'-2-NITRO-4-TRIFLUOROMETHYLPHENYL THIOUREA
1Identification
【Name】
N-METHOXYCARBONYL N'-2-NITRO-4-TRIFLUOROMETHYLPHENYL THIOUREA
【CAS】
【MDL】
MFCD00899063
【English Synonyms】
【Formula】
C10 H8 F3 N3 O4 S
【MolWeight】
323.25
【Inchi】
InChI=1S/C10H8F3N3O4S/c1-20-9(17)15-8(21)14-6-3-2-5(10(11,12)13)4-7(6)16(18)19/h2-4H,1H3,(H2,14,15,17,21)
【InChIKey】
InChIKey=SOBJHZWSIPYINO-UHFFFAOYSA-N
【SMILES】
COC(=O)NC(=S)Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F
【MOL File】
N-METHOXYCARBONYL N'….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-METHOXYCARBONYL N'-2-NITRO-4-TRIFLUOROMETHYLPHENYL THIOUREA.cml