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Hdbtu

CAS No.:
164861-52-3
Catalog Number:
AG001V3L
Molecular Formula:
C12H16F6N5O2P
Molecular Weight:
407.2519
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$44
- +
5g
95%
In Stock USA
United States
$80
- +
25g
95%
In Stock USA
United States
$237
- +
Product Description
Catalog Number:
AG001V3L
Chemical Name:
Hdbtu
CAS Number:
164861-52-3
Molecular Formula:
C12H16F6N5O2P
Molecular Weight:
407.2519
MDL Number:
MFCD08274616
IUPAC Name:
[dimethylamino-[(4-oxo-1,2,3-benzotriazin-3-yl)oxy]methylidene]-dimethylazanium;hexafluorophosphate
InChI:
InChI=1S/C12H16N5O2.F6P/c1-15(2)12(16(3)4)19-17-11(18)9-7-5-6-8-10(9)13-14-17;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1
InChI Key:
QGYDGCPRFFOXLW-UHFFFAOYSA-N
SMILES:
F[P-](F)(F)(F)(F)F.CN(C(=[O+]n1nnc2c(c1=O)cccc2)N(C)C)C
Properties
Complexity:
464  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.095g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.257g/mol
Monoisotopic Mass:
407.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties