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100820-35-7 | Methanone, phenyl(1-phenyl-1H-1,2,4-triazol-5-yl)-
CAS No: 100820-35-7 Catalog No: AG0002YM MDL No:
Product Description
Catalog Number:
AG0002YM
Chemical Name:
Methanone, phenyl(1-phenyl-1H-1,2,4-triazol-5-yl)-
CAS Number:
100820-35-7
Molecular Formula:
C15H11N3O
Molecular Weight:
249.2673
IUPAC Name:
phenyl-(2-phenyl-1,2,4-triazol-3-yl)methanone
InChI:
InChI=1S/C15H11N3O/c19-14(12-7-3-1-4-8-12)15-16-11-17-18(15)13-9-5-2-6-10-13/h1-11H
InChI Key:
DZXCUKMUAAUNAF-UHFFFAOYSA-N
SMILES:
O=C(c1ncnn1c1ccccc1)c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.273g/mol
Monoisotopic Mass:
249.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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