112677-01-7
1-(3-(TRIFLUOROMETHYL)PHENYL)GUANIDINE CARBONATE
Name1-(3-(TRIFLUOROMETHYL)PHENYL)GUANIDINE CARBONATE
Formula2 C8 H8 F3 N3 . C H2 O3
1Identification
【Name】
1-(3-(TRIFLUOROMETHYL)PHENYL)GUANIDINE CARBONATE
【CAS】
【MDL】
MFCD00035588
【English Synonyms】
【Formula】
2 C8 H8 F3 N3 . C H2 O3
【MolWeight】
468.356
【Inchi】
InChI=1S/2C8H8F3N3.CH2O3/c2*9-8(10,11)5-2-1-3-6(4-5)14-7(12)13;2-1(3)4/h2*1-4H,(H4,12,13,14);(H2,2,3,4)
【InChIKey】
InChIKey=VJCAJEPSHUJBAR-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)NC(=N)N)C(F)(F)F.c1cc(cc(c1)NC(=N)N)C(F)(F)F.C(=O)(O)O
【MOL File】
1-(3-(TRIFLUOROMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:3
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-(TRIFLUOROMETHYL)PHENYL)GUANIDINE CARBONATE.cml