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75655-52-6 | 1,3,4-Oxadiazole, 2-(1,1-dimethylethyl)-5-phenyl-
CAS No: 75655-52-6 Catalog No: AG005IY8 MDL No:
Product Description
Catalog Number:
AG005IY8
Chemical Name:
1,3,4-Oxadiazole, 2-(1,1-dimethylethyl)-5-phenyl-
CAS Number:
75655-52-6
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
2-tert-butyl-5-phenyl-1,3,4-oxadiazole
InChI:
InChI=1S/C12H14N2O/c1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChI Key:
DWSUGUDZPQYIFP-UHFFFAOYSA-N
SMILES:
CC(c1nnc(o1)c1ccccc1)(C)C
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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