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tert-butyl (2S)-2-(chloromethyl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(chloromethyl)pyrrolidine-1-carboxylate

CAS: 403735-05-7

Formula: C10H18ClNO2

SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1CCl

IUPAC: tert-butyl (2S)-2-(chloromethyl)pyrrolidine-1-carboxylate

InChI: InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7H2,1-3H3/t8-/m0/s1

Composition: C (54.67%), H (8.26%), Cl (16.13%), N (6.38%), O (14.56%)

Molar Mass: 219.71

Atom Count: 32

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 219.1026065
Formal Charge 0
FSP3 0.9
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KTDOGEILJSFSSG-QMMMGPOBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.24
Topological Polar Surface Area 29.54
Polarizability 22.19
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 403735-05-7 $201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70
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