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89392-23-4 | 2-Pentanone, 5-(4-fluorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-
CAS No: 89392-23-4 Catalog No: AG003WK3 MDL No:
Product Description
Catalog Number:
AG003WK3
Chemical Name:
2-Pentanone, 5-(4-fluorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-
CAS Number:
89392-23-4
Molecular Formula:
C15H18FN3O2
Molecular Weight:
291.3207
IUPAC Name:
5-(4-fluorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)pentan-2-one
InChI:
InChI=1S/C15H18FN3O2/c1-15(2,14(20)9-19-11-17-10-18-19)7-8-21-13-5-3-12(16)4-6-13/h3-6,10-11H,7-9H2,1-2H3
InChI Key:
MGDDYIGMZSBZFE-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)OCCC(C(=O)Cn1cncn1)(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.138g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.326g/mol
Monoisotopic Mass:
291.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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