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116718-06-0 | 2H-Tetrazolium, 2,3-bis(methoxyphenyl)-5-phenyl- (9CI)
CAS No: 116718-06-0 Catalog No: AG000D5F MDL No:
Product Description
Catalog Number:
AG000D5F
Chemical Name:
2H-Tetrazolium, 2,3-bis(methoxyphenyl)-5-phenyl- (9CI)
CAS Number:
116718-06-0
Molecular Formula:
C21H21N4O2+
Molecular Weight:
361.4170
IUPAC Name:
2,3-bis(2-methoxyphenyl)-5-phenyl-1H-tetrazol-1-ium
InChI:
InChI=1S/C21H20N4O2/c1-26-19-14-8-6-12-17(19)24-22-21(16-10-4-3-5-11-16)23-25(24)18-13-7-9-15-20(18)27-2/h3-15H,1-2H3,(H,22,23)/p+1
InChI Key:
IQADQWJSCLCDCF-UHFFFAOYSA-O
SMILES:
COc1ccccc1N1[NH2+]C(=NN1c1ccccc1OC)c1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.166g/mol
Formal Charge:
1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.425g/mol
Monoisotopic Mass:
361.166g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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