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2639-18-1 | 1,3,4-Oxadiazole, 2,5-bis[4-(1,1-dimethylethyl)phenyl]-
CAS No: 2639-18-1 Catalog No: AG002T10 MDL No:MFCD00728656
Product Description
Catalog Number:
AG002T10
Chemical Name:
1,3,4-Oxadiazole, 2,5-bis[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
2639-18-1
Molecular Formula:
C22H26N2O
Molecular Weight:
334.4546
MDL Number:
MFCD00728656
IUPAC Name:
2,5-bis(4-tert-butylphenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C22H26N2O/c1-21(2,3)17-11-7-15(8-12-17)19-23-24-20(25-19)16-9-13-18(14-10-16)22(4,5)6/h7-14H,1-6H3
InChI Key:
ZMFUDRWYDBQWEZ-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1nnc(o1)c1ccc(cc1)C(C)(C)C)(C)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.463g/mol
Monoisotopic Mass:
334.205g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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