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116177-95-8 | 1,2,4-Triazine, 6-methyl-5-phenoxy-3-phenyl-
CAS No: 116177-95-8 Catalog No: AG000BTR MDL No:
Product Description
Catalog Number:
AG000BTR
Chemical Name:
1,2,4-Triazine, 6-methyl-5-phenoxy-3-phenyl-
CAS Number:
116177-95-8
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
IUPAC Name:
6-methyl-5-phenoxy-3-phenyl-1,2,4-triazine
InChI:
InChI=1S/C16H13N3O/c1-12-16(20-14-10-6-3-7-11-14)17-15(19-18-12)13-8-4-2-5-9-13/h2-11H,1H3
InChI Key:
UEPUBRFLZLYCRY-UHFFFAOYSA-N
SMILES:
Cc1nnc(nc1Oc1ccccc1)c1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.3g/mol
Monoisotopic Mass:
263.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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