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3-(chloromethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole

3-(chloromethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole

CAS: 189130-85-6

Formula: C7H11ClN2O

SMILES: CC(C)CC1=NC(CCl)=NO1

IUPAC: 3-(chloromethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole

InChI: InChI=1S/C7H11ClN2O/c1-5(2)3-7-9-6(4-8)10-11-7/h5H,3-4H2,1-2H3

Composition: C (48.15%), H (6.35%), Cl (20.30%), N (16.04%), O (9.16%)

Molar Mass: 174.63

Atom Count: 22

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 174.0559907
Formal Charge 0
FSP3 0.71
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MLTXNTRNFCWCPQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.27
Topological Polar Surface Area 38.92
Polarizability 16.47
Ring Count 1
Rotatable Bond Count 3

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