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tert-butyl (2S)-pyrrolidine-2-carboxylate chloride

tert-butyl (2S)-pyrrolidine-2-carboxylate chloride

CAS: 5497-76-7

Formula: C9H17ClNO2

SMILES: [Cl-].CC(C)(C)OC(=O)[C@@H]1CCCN1

IUPAC: tert-butyl (2S)-pyrrolidine-2-carboxylate chloride

InChI: InChI=1S/C9H17NO2.ClH/c1-9(2,3)12-8(11)7-5-4-6-10-7;/h7,10H,4-6H2,1-3H3;1H/p-1/t7-;/m0./s1

Composition: C (52.30%), H (8.29%), Cl (17.15%), N (6.78%), O (15.48%)

Molar Mass: 206.69

Atom Count: 30

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 206.0953301
Formal Charge -1
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IUUYANMOEMBTBV-FJXQXJEOSA-M
Lipinski's Rule of Five 1
Molar Refractivity 46.64
Topological Polar Surface Area 38.33
Polarizability 18.87
Ring Count 1
Rotatable Bond Count 3

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98% <5 Days 5497-76-7 $240.00$240.00
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