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88236-02-6 | 1,2,4,5-Tetrazine, 3-(4-ethoxyphenyl)-1,2,3,4-tetrahydro-1,4,6-triphenyl-
CAS No: 88236-02-6 Catalog No: AG004AWK MDL No:
Product Description
Catalog Number:
AG004AWK
Chemical Name:
1,2,4,5-Tetrazine, 3-(4-ethoxyphenyl)-1,2,3,4-tetrahydro-1,4,6-triphenyl-
CAS Number:
88236-02-6
Molecular Formula:
C28H26N4O
Molecular Weight:
434.5322
IUPAC Name:
6-(4-ethoxyphenyl)-2,3,5-triphenyl-1,6-dihydro-1,2,4,5-tetrazine
InChI:
InChI=1S/C28H26N4O/c1-2-33-26-20-18-23(19-21-26)28-30-31(24-14-8-4-9-15-24)27(22-12-6-3-7-13-22)29-32(28)25-16-10-5-11-17-25/h3-21,28,30H,2H2,1H3
InChI Key:
ILOQQLUYGRQRCS-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C1NN(c2ccccc2)C(=NN1c1ccccc1)c1ccccc1
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.211g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.543g/mol
Monoisotopic Mass:
434.211g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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