216434-81-0
8-BROMOMETHYL-4,4-DIFLUORO-1,3,5,7-TETRAMETHYL-4-BORA-3A,4A-DIAZA-S-INDACENE
Name8-BROMOMETHYL-4,4-DIFLUORO-1,3,5,7-TETRAMETHYL-4-BORA-3A,4A-DIAZA-S-INDACENE
FormulaC14 H16 B Br F2 N2
1Identification
【Name】
8-BROMOMETHYL-4,4-DIFLUORO-1,3,5,7-TETRAMETHYL-4-BORA-3A,4A-DIAZA-S-INDACENE
【CAS】
【MDL】
MFCD00467595
【English Synonyms】
【Formula】
C14 H16 B Br F2 N2
【MolWeight】
341.005
【Inchi】
InChI=1S/C14H16BBrF2N2/c1-8-5-10(3)19-13(8)12(7-16)14-9(2)6-11(4)20(14)15(19,17)18/h5-6H,7H2,1-4H3
【InChIKey】
InChIKey=JLSHPOSUMKVMAP-UHFFFAOYSA-N
【SMILES】
[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CBr)C)C)(F)F
【MOL File】
8-BROMOMETHYL-4,4-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-BROMOMETHYL-4,4-DIFLUORO-1,3,5,7-TETRAMETHYL-4-BORA-3A,4A-DIAZA-S-INDACENE.cml