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83666-02-8 | Isoxazole, 5-(1-methylpropyl)-3-phenyl-
CAS No: 83666-02-8 Catalog No: AG008ILV MDL No:
Product Description
Catalog Number:
AG008ILV
Chemical Name:
Isoxazole, 5-(1-methylpropyl)-3-phenyl-
CAS Number:
83666-02-8
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
5-butan-2-yl-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C13H15NO/c1-3-10(2)13-9-12(14-15-13)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3
InChI Key:
DHSUTCFEDLSUER-UHFFFAOYSA-N
SMILES:
CCC(c1onc(c1)c1ccccc1)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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