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7753-13-1

7753-13-1 | Phenol, 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tris-

CAS No: 7753-13-1 Catalog No: AG005H39 MDL No:

Product Description

Catalog Number:
AG005H39
Chemical Name:
Phenol, 4,4',4''-(1,3,5-triazine-2,4,6-triyl)tris-
CAS Number:
7753-13-1
Molecular Formula:
C21H15N3O3
Molecular Weight:
357.3621
IUPAC Name:
4-[4,6-bis(4-hydroxyphenyl)-1,3,5-triazin-2-yl]phenol
InChI:
InChI=1S/C21H15N3O3/c25-16-7-1-13(2-8-16)19-22-20(14-3-9-17(26)10-4-14)24-21(23-19)15-5-11-18(27)12-6-15/h1-12,25-27H
InChI Key:
GPSBTCCYBACYRE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc(nc(n1)c1ccc(cc1)O)c1ccc(cc1)O

Properties

Complexity:
377  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.111g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
357.369g/mol
Monoisotopic Mass:
357.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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