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88235-98-7 | 1,2,4,5-Tetrazine, 1,2,3,4-tetrahydro-1,3,4,6-tetraphenyl-
CAS No: 88235-98-7 Catalog No: AG004B5D MDL No:
Product Description
Catalog Number:
AG004B5D
Chemical Name:
1,2,4,5-Tetrazine, 1,2,3,4-tetrahydro-1,3,4,6-tetraphenyl-
CAS Number:
88235-98-7
Molecular Formula:
C26H22N4
Molecular Weight:
390.4797
IUPAC Name:
2,3,5,6-tetraphenyl-1,6-dihydro-1,2,4,5-tetrazine
InChI:
InChI=1S/C26H22N4/c1-5-13-21(14-6-1)25-27-30(24-19-11-4-12-20-24)26(22-15-7-2-8-16-22)28-29(25)23-17-9-3-10-18-23/h1-20,25,27H
InChI Key:
ABZGNICYZVZYDN-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1NN(c2ccccc2)C(=NN1c1ccccc1)c1ccccc1
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.184g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.49g/mol
Monoisotopic Mass:
390.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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