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137614-07-4 | Phenol, 4-methyl-2-[4-(4-methylphenoxy)-1,3,5-triazin-2-yl]-
CAS No: 137614-07-4 Catalog No: AG0013MA MDL No:
Product Description
Catalog Number:
AG0013MA
Chemical Name:
Phenol, 4-methyl-2-[4-(4-methylphenoxy)-1,3,5-triazin-2-yl]-
CAS Number:
137614-07-4
Molecular Formula:
C17H15N3O2
Molecular Weight:
293.3199
IUPAC Name:
4-methyl-2-[4-(4-methylphenoxy)-1,3,5-triazin-2-yl]phenol
InChI:
InChI=1S/C17H15N3O2/c1-11-3-6-13(7-4-11)22-17-19-10-18-16(20-17)14-9-12(2)5-8-15(14)21/h3-10,21H,1-2H3
InChI Key:
QXRPMKBMJHWZLB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Oc1ncnc(n1)c1cc(C)ccc1O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.326g/mol
Monoisotopic Mass:
293.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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