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178323-88-1

178323-88-1 | 2H-Tetrazole, 5-methyl-2-(triphenylmethyl)-

CAS No: 178323-88-1 Catalog No: AG0025XV MDL No:

Product Description

Catalog Number:
AG0025XV
Chemical Name:
2H-Tetrazole, 5-methyl-2-(triphenylmethyl)-
CAS Number:
178323-88-1
Molecular Formula:
C21H18N4
Molecular Weight:
326.3944
IUPAC Name:
5-methyl-2-trityltetrazole
InChI:
InChI=1S/C21H18N4/c1-17-22-24-25(23-17)21(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChI Key:
WQLNWWBOMKOUSO-UHFFFAOYSA-N
SMILES:
Cc1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1

Properties

Complexity:
363  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.153g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.403g/mol
Monoisotopic Mass:
326.153g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

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