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125700-69-8 | Methanaminium, N-[(dimethylamino)[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]methylene]-N-methyl-, tetrafluoroborate(1-) (1:1)
CAS No: 125700-69-8 Catalog No: AG000OHZ MDL No:MFCD00077730
Product Description
Catalog Number:
AG000OHZ
Chemical Name:
Methanaminium, N-[(dimethylamino)[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)oxy]methylene]-N-methyl-, tetrafluoroborate(1-) (1:1)
CAS Number:
125700-69-8
Molecular Formula:
C12H16BF4N5O2
Molecular Weight:
349.0924
MDL Number:
MFCD00077730
IUPAC Name:
[dimethylamino-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]methylidene]-dimethylazanium;tetrafluoroborate
InChI:
InChI=1S/C12H16N5O2.BF4/c1-15(2)12(16(3)4)19-17-11(18)9-7-5-6-8-10(9)13-14-17;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1
InChI Key:
FOBCPCIJLQTYBT-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CN(C(=[N+](C)C)On1nnc2c(c1=O)cccc2)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.133g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.097g/mol
Monoisotopic Mass:
349.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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