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1020253-10-4 | 1,2,4-Oxadiazole, 5-(1,1-dimethylethyl)-3-(4-methylphenyl)-
CAS No: 1020253-10-4 Catalog No: AG0006D8 MDL No:MFCD02310122
Product Description
Catalog Number:
AG0006D8
Chemical Name:
1,2,4-Oxadiazole, 5-(1,1-dimethylethyl)-3-(4-methylphenyl)-
CAS Number:
1020253-10-4
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD02310122
IUPAC Name:
5-tert-butyl-3-(4-methylphenyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C13H16N2O/c1-9-5-7-10(8-6-9)11-14-12(16-15-11)13(2,3)4/h5-8H,1-4H3
InChI Key:
YYELJJHQDCFHIB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(n1)C(C)(C)C
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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