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21520-87-6 | NEO-TETRAZOLIUM, DIFORMAZAN
CAS No: 21520-87-6 Catalog No: AG003SZ0 MDL No:
Product Description
Catalog Number:
AG003SZ0
Chemical Name:
NEO-TETRAZOLIUM, DIFORMAZAN
CAS Number:
21520-87-6
IUPAC Name:
N'-anilino-N-[4-[4-[[(Z)-N-anilino-C-phenylcarbonimidoyl]diazenyl]phenyl]phenyl]iminobenzenecarboximidamide
InChI:
InChI=1S/C38H30N8/c1-5-13-31(14-6-1)37(43-39-33-17-9-3-10-18-33)45-41-35-25-21-29(22-26-35)30-23-27-36(28-24-30)42-46-38(32-15-7-2-8-16-32)44-40-34-19-11-4-12-20-34/h1-28,39-40H/b43-37-,44-38-,45-41?,46-42?
InChI Key:
CILDIGWYVAZDBX-HVEUNNPASA-N
Properties
Complexity:
902
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
598.259g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
598.714g/mol
Monoisotopic Mass:
598.259g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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