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

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

Formula: C11H9BrN2O3

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

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

InChI: InChI=1S/C11H9BrN2O3/c1-2-16-11(15)10-14-13-9(17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3

Composition: C (44.47%), H (3.05%), Br (26.89%), N (9.43%), O (16.15%)

Molar Mass: 297.108

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 295.979655
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZOZDFQUVDQQEMJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.96
Topological Polar Surface Area 65.22
Polarizability 24.93
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C11H9BrN2O3 $33.66-$1,128.55$33.66$76.67$227.21$1,128.55
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98% <10 Days C11H9BrN2O3 Quote Only
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