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885278-25-1

885278-25-1 | 3-(2-Trityl-2H-tetrazol-5-yl)phenol

CAS No: 885278-25-1 Catalog No: AG0045VA MDL No:MFCD06739091

Product Description

Catalog Number:
AG0045VA
Chemical Name:
3-(2-Trityl-2H-tetrazol-5-yl)phenol
CAS Number:
885278-25-1
Molecular Formula:
C26H20N4O
Molecular Weight:
404.4632
MDL Number:
MFCD06739091
IUPAC Name:
3-(2-trityltetrazol-5-yl)phenol
InChI:
InChI=1S/C26H20N4O/c31-24-18-10-11-20(19-24)25-27-29-30(28-25)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,31H
InChI Key:
MIDUJJHWBFKQEM-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1nnn(n1)C(c1ccccc1)(c1ccccc1)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:
404.164g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
404.473g/mol
Monoisotopic Mass:
404.164g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2  

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