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100193-57-5 | Ethanone, 1-(5-ethyl-1-phenyl-1H-1,2,4-triazol-3-yl)-
CAS No: 100193-57-5 Catalog No: AG00017C MDL No:
Product Description
Catalog Number:
AG00017C
Chemical Name:
Ethanone, 1-(5-ethyl-1-phenyl-1H-1,2,4-triazol-3-yl)-
CAS Number:
100193-57-5
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
1-(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)ethanone
InChI:
InChI=1S/C12H13N3O/c1-3-11-13-12(9(2)16)14-15(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChI Key:
ZLKFZMFPWIVQOB-UHFFFAOYSA-N
SMILES:
CCc1nc(nn1c1ccccc1)C(=O)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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