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832112-54-6 | 1,2,4,5-Tetrazine, 3,6-bis(phenylsulfonyl)-
CAS No: 832112-54-6 Catalog No: AG004UN0 MDL No:
Product Description
Catalog Number:
AG004UN0
Chemical Name:
1,2,4,5-Tetrazine, 3,6-bis(phenylsulfonyl)-
CAS Number:
832112-54-6
Molecular Formula:
C14H10N4O4S2
Molecular Weight:
362.3836
IUPAC Name:
3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
InChI:
InChI=1S/C14H10N4O4S2/c19-23(20,11-7-3-1-4-8-11)13-15-17-14(18-16-13)24(21,22)12-9-5-2-6-10-12/h1-10H
InChI Key:
BJJLLAUVSXVDST-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1nnc(nn1)S(=O)(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.014g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.378g/mol
Monoisotopic Mass:
362.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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