3-bromo-5-tert-butyl-1,2,4-oxadiazole

3-bromo-5-tert-butyl-1,2,4-oxadiazole

CAS: 1559059-83-4

Formula: C6H9BrN2O

SMILES: CC(C)(C)C1=NC(Br)=NO1

IUPAC: 3-bromo-5-tert-butyl-1,2,4-oxadiazole

InChI: InChI=1S/C6H9BrN2O/c1-6(2,3)4-8-5(7)9-10-4/h1-3H3

Composition: C (35.14%), H (4.42%), Br (38.97%), N (13.66%), O (7.80%)

Molar Mass: 205.055

Atom Count: 19

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	203.989826
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LEFVEWIUWCRZFA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.91
Topological Polar Surface Area	38.92
Polarizability	15.86
Ring Count	1
Rotatable Bond Count	1

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