tert-butyl 6-chloro-4-oxo-3H-spiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate

tert-butyl 6-chloro-4-oxo-3H-spiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate

CAS: 1011482-37-3

Formula: C18H22ClNO4

SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C1=CC(Cl)=CC=C1O2

IUPAC: tert-butyl 6-chloro-4-oxo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate

InChI: InChI=1S/C18H22ClNO4/c1-17(2,3)24-16(22)20-8-6-18(7-9-20)11-14(21)13-10-12(19)4-5-15(13)23-18/h4-5,10H,6-9,11H2,1-3H3

Composition: C (61.45%), H (6.30%), Cl (10.08%), N (3.98%), O (18.19%)

Molar Mass: 351.83

Atom Count: 46

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	351.1237359
Formal Charge	0
FSP3	0.56
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RUSWDSAVXRAHNN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.91
Topological Polar Surface Area	55.84
Polarizability	35.51
Ring Count	3
Rotatable Bond Count	2

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