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88101-82-0 | 1,3,5-Triazin-2(1H)-one, 4-(4-hydroxyphenyl)-6-phenoxy-
CAS No: 88101-82-0 Catalog No: AG004EDG MDL No:
Product Description
Catalog Number:
AG004EDG
Chemical Name:
1,3,5-Triazin-2(1H)-one, 4-(4-hydroxyphenyl)-6-phenoxy-
CAS Number:
88101-82-0
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
IUPAC Name:
6-(4-hydroxyphenyl)-4-phenoxy-1H-1,3,5-triazin-2-one
InChI:
InChI=1S/C15H11N3O3/c19-11-8-6-10(7-9-11)13-16-14(20)18-15(17-13)21-12-4-2-1-3-5-12/h1-9,19H,(H,16,17,18,20)
InChI Key:
YDSATZGXJIBRTM-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc(Oc2ccccc2)[nH]c(=O)n1
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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