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117457-02-0 | 1,2,4,5-Tetrazine-3,6-diamine, N3,N6-bis(2-fluoro-2,2-dinitroethyl)-
CAS No: 117457-02-0 Catalog No: AG000EBU MDL No:
Product Description
Catalog Number:
AG000EBU
Chemical Name:
1,2,4,5-Tetrazine-3,6-diamine, N3,N6-bis(2-fluoro-2,2-dinitroethyl)-
CAS Number:
117457-02-0
Molecular Formula:
C6H6F2N10O8
Molecular Weight:
384.1708
IUPAC Name:
3-N,6-N-bis(2-fluoro-2,2-dinitroethyl)-1,2,4,5-tetrazine-3,6-diamine
InChI:
InChI=1S/C6H6F2N10O8/c7-5(15(19)20,16(21)22)1-9-3-11-13-4(14-12-3)10-2-6(8,17(23)24)18(25)26/h1-2H2,(H,9,11,12)(H,10,13,14)
InChI Key:
PLPJDIYBRCHDRG-UHFFFAOYSA-N
SMILES:
FC([N+](=O)[O-])([N+](=O)[O-])CNc1nnc(nn1)NCC([N+](=O)[O-])([N+](=O)[O-])F
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.034g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.173g/mol
Monoisotopic Mass:
384.034g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
259A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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