tert-butyl 1,1-dichloro-2-oxo-6-azaspiro[3.4]octane-6-carboxylate

tert-butyl 1,1-dichloro-2-oxo-6-azaspiro[3.4]octane-6-carboxylate

CAS: 1558037-99-2

Formula: C12H17Cl2NO3

SMILES: CC(C)(C)OC(=O)N1CCC2(CC(=O)C2(Cl)Cl)C1

IUPAC: tert-butyl 1,1-dichloro-2-oxo-6-azaspiro[3.4]octane-6-carboxylate

InChI: InChI=1/C12H17Cl2NO3/c1-10(2,3)18-9(17)15-5-4-11(7-15)6-8(16)12(11,13)14/h4-7H2,1-3H3

Composition: C (49.00%), H (5.83%), Cl (24.10%), N (4.76%), O (16.32%)

Molar Mass: 294.17

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	293.0585488
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JXIGDJHPUNVMQL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.5
Topological Polar Surface Area	46.61
Polarizability	27.18
Ring Count	2
Rotatable Bond Count	2

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