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3-(4-bromophenyl)-5-(1-chloro-2-methylpropan-2-yl)-1,2,4-oxadiazole

3-(4-bromophenyl)-5-(1-chloro-2-methylpropan-2-yl)-1,2,4-oxadiazole

CAS: 1033201-95-4

Formula: C12H12BrClN2O

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

IUPAC: 3-(4-bromophenyl)-5-(1-chloro-2-methylpropan-2-yl)-1,2,4-oxadiazole

InChI: InChI=1S/C12H12BrClN2O/c1-12(2,7-14)11-15-10(16-17-11)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3

Composition: C (45.67%), H (3.83%), Br (25.32%), Cl (11.23%), N (8.88%), O (5.07%)

Molar Mass: 315.6

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 313.982154
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey WSCTXQWNHOJUMP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 82.68
Topological Polar Surface Area 38.92
Polarizability 27.66
Ring Count 2
Rotatable Bond Count 3

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