2-(3-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole

2-(3-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole

CAS: 957065-96-2

Formula: C12H13BrN2O

SMILES: CC(C)(C)C1=NN=C(O1)C1=CC(Br)=CC=C1

IUPAC: 2-(3-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole

InChI: InChI=1S/C12H13BrN2O/c1-12(2,3)11-15-14-10(16-11)8-5-4-6-9(13)7-8/h4-7H,1-3H3

Composition: C (51.26%), H (4.66%), Br (28.42%), N (9.96%), O (5.69%)

Molar Mass: 281.153

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.021126
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PJHHEWRHJXZUJR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.85
Topological Polar Surface Area	38.92
Polarizability	25.76
Ring Count	2
Rotatable Bond Count	2

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