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87839-68-7 | 1,2,4,5-Tetrazine, 1,4-dihydro-3,6-dimethyl-1,4-diphenyl-
CAS No: 87839-68-7 Catalog No: AG004ELZ MDL No:
Product Description
Catalog Number:
AG004ELZ
Chemical Name:
1,2,4,5-Tetrazine, 1,4-dihydro-3,6-dimethyl-1,4-diphenyl-
CAS Number:
87839-68-7
Molecular Formula:
C16H16N4
Molecular Weight:
264.3250
IUPAC Name:
3,6-dimethyl-1,4-diphenyl-1,2,4,5-tetrazine
InChI:
InChI=1S/C16H16N4/c1-13-17-20(16-11-7-4-8-12-16)14(2)18-19(13)15-9-5-3-6-10-15/h3-12H,1-2H3
InChI Key:
GQQNQWZTTDASCK-UHFFFAOYSA-N
SMILES:
Cc1nn(c2ccccc2)c(nn1c1ccccc1)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.332g/mol
Monoisotopic Mass:
264.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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