200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 157458-76-9
157458-76-9 | 2H-Tetrazolium, 5-(1,1-dimethylethyl)-2,3-bis(4-nitrophenyl)-, chloride (1:1)
CAS No: 157458-76-9 Catalog No: AG001PG9 MDL No:
Product Description
Catalog Number:
AG001PG9
Chemical Name:
2H-Tetrazolium, 5-(1,1-dimethylethyl)-2,3-bis(4-nitrophenyl)-, chloride (1:1)
CAS Number:
157458-76-9
Molecular Formula:
C17H19ClN6O4
Molecular Weight:
406.8236
IUPAC Name:
5-tert-butyl-2,3-bis(4-nitrophenyl)tetrazol-2-ium;chloride
InChI:
InChI=1S/C17H17N6O4.ClH/c1-17(2,3)16-18-20(12-4-8-14(9-5-12)22(24)25)21(19-16)13-6-10-15(11-7-13)23(26)27;/h4-11H,1-3H3;1H/q+1;/p-1
InChI Key:
WXBYFPXRNHZLPD-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccc(cc1)N1[NH2+]C(=NN1c1ccc(cc1)[N+](=O)[O-])C(C)(C)C.[Cl-]
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.1g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.811g/mol
Monoisotopic Mass:
404.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.