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

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

CAS: 332187-61-8

Formula: C17H21ClN2O4

SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)NC1=CC=C(Cl)C=C21

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

InChI: InChI=1S/C17H21ClN2O4/c1-16(2,3)24-15(22)20-8-6-17(7-9-20)12-10-11(18)4-5-13(12)19-14(21)23-17/h4-5,10H,6-9H2,1-3H3,(H,19,21)

Composition: C (57.87%), H (6.00%), Cl (10.05%), N (7.94%), O (18.14%)

Molar Mass: 352.82

Atom Count: 45

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	352.1189849
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ORBJFEDABMATJI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.95
Topological Polar Surface Area	67.87
Polarizability	34.86
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	332187-61-8		$75.66-$274.90$75.66$105.92$274.90