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Home > Nitro Compounds > 20829-03-2
20829-03-2 | 2H-Tetrazolium, 2-(4-nitrophenyl)-3,5-diphenyl-, chloride (1:1)
CAS No: 20829-03-2 Catalog No: AG002JMH MDL No:
Product Description
Catalog Number:
AG002JMH
Chemical Name:
2H-Tetrazolium, 2-(4-nitrophenyl)-3,5-diphenyl-, chloride (1:1)
CAS Number:
20829-03-2
Molecular Formula:
C19H16ClN5O2
Molecular Weight:
381.8156
IUPAC Name:
2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazol-1-ium;chloride
InChI:
InChI=1S/C19H15N5O2.ClH/c25-24(26)18-13-11-17(12-14-18)23-21-19(15-7-3-1-4-8-15)20-22(23)16-9-5-2-6-10-16;/h1-14H,(H,20,21);1H
InChI Key:
ITGQYGGUISQXHU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1[NH2+]C(=NN1c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.099g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.82g/mol
Monoisotopic Mass:
381.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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