tert-butyl N-(5-chloro-2H-1,3-benzodioxol-4-yl)carbamate

tert-butyl N-(5-chloro-2H-1,3-benzodioxol-4-yl)carbamate

CAS: 379229-84-2

Formula: C12H14ClNO4

SMILES: CC(C)(C)OC(=O)NC1=C(Cl)C=CC2=C1OCO2

IUPAC: tert-butyl N-(5-chloro-2H-1,3-benzodioxol-4-yl)carbamate

InChI: InChI=1S/C12H14ClNO4/c1-12(2,3)18-11(15)14-9-7(13)4-5-8-10(9)17-6-16-8/h4-5H,6H2,1-3H3,(H,14,15)

Composition: C (53.05%), H (5.19%), Cl (13.05%), N (5.16%), O (23.55%)

Molar Mass: 271.7

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	271.0611356
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VGAUUGYGFROFEI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.92
Topological Polar Surface Area	56.79
Polarizability	25.87
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<7 Days	379229-84-2		$114.89-$205.97$114.89$205.97