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

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

CAS: 1133116-15-0

Formula: C12H12ClN3O3

SMILES: CC(C)(CCl)C1=NC(=NO1)C1=CC=C(C=C1)[N+]([O-])=O

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

InChI: InChI=1S/C12H12ClN3O3/c1-12(2,7-13)11-14-10(15-19-11)8-3-5-9(6-4-8)16(17)18/h3-6H,7H2,1-2H3

Composition: C (51.17%), H (4.29%), Cl (12.58%), N (14.92%), O (17.04%)

Molar Mass: 281.7

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	281.056719
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	CGFOQTRAAJTHAV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.37
Topological Polar Surface Area	82.06
Polarizability	26.77
Ring Count	2
Rotatable Bond Count	4

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