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3-(2-bromophenyl)-5-ethyl-1,2,4-oxadiazole

3-(2-bromophenyl)-5-ethyl-1,2,4-oxadiazole

CAS: 1072944-70-7

Formula: C10H9BrN2O

SMILES: CCC1=NC(=NO1)C1=CC=CC=C1Br

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

InChI: InChI=1S/C10H9BrN2O/c1-2-9-12-10(13-14-9)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3

Composition: C (47.46%), H (3.58%), Br (31.57%), N (11.07%), O (6.32%)

Molar Mass: 253.099

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 251.989826
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NBXMWJPFQWSYPR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.78
Topological Polar Surface Area 38.92
Polarizability 22.13
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1072944-70-7 $246.10-$572.70$246.10$572.70
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