tert-butyl 3-chloropyrrolidine-1-carboxylate

tert-butyl 3-chloropyrrolidine-1-carboxylate

CAS: 1289386-88-4

Formula: C9H16ClNO2

SMILES: CC(C)(C)OC(=O)N1CCC(Cl)C1

IUPAC: tert-butyl 3-chloropyrrolidine-1-carboxylate

InChI: InChI=1/C9H16ClNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3

Composition: C (52.56%), H (7.84%), Cl (17.24%), N (6.81%), O (15.56%)

Molar Mass: 205.68

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	205.0869565
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BFJADPWUALFXHF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.6
Topological Polar Surface Area	29.54
Polarizability	20.36
Ring Count	1
Rotatable Bond Count	2

Suppliers

Acrotein ChemBio Inc.,

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1289386-88-4		$79.68-$380.16$79.68$126.72$380.16