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Home > Fluorides > 250645-59-1
250645-59-1 | 1,2,4,5-Tetrazine, 3,6-bis[4-(trifluoromethyl)phenyl]-
CAS No: 250645-59-1 Catalog No: AG002QBW MDL No:
Product Description
Catalog Number:
AG002QBW
Chemical Name:
1,2,4,5-Tetrazine, 3,6-bis[4-(trifluoromethyl)phenyl]-
CAS Number:
250645-59-1
Molecular Formula:
C16H8F6N4
Molecular Weight:
370.2519
IUPAC Name:
3,6-bis[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine
InChI:
InChI=1S/C16H8F6N4/c17-15(18,19)11-5-1-9(2-6-11)13-23-25-14(26-24-13)10-3-7-12(8-4-10)16(20,21)22/h1-8H
InChI Key:
MXNIGWQFLFFZCH-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)c1nnc(nn1)c1ccc(cc1)C(F)(F)F)(F)F
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.065g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.258g/mol
Monoisotopic Mass:
370.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis, structure analysis, and antitumor activity of 3,6-disubstituted-1,4-dihydro-1,2,4,5-tetrazine derivatives. | Bioorganic & medicinal chemistry letters 20060715 |
| Synthesis and antitumor activity of s-tetrazine derivatives. | Bioorganic & medicinal chemistry letters 20040308 |
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