tert-butyl (3R)-3-(chloromethyl)pyrrolidine-1-carboxylate

tert-butyl (3R)-3-(chloromethyl)pyrrolidine-1-carboxylate

CAS: 1187927-12-3

Formula: C10H18ClNO2

SMILES: CC(C)(C)OC(=O)N1CC[C@@H](CCl)C1

IUPAC: tert-butyl (3R)-3-(chloromethyl)pyrrolidine-1-carboxylate

InChI: InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/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	ZCOBWMKNMWVILV-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.58
Topological Polar Surface Area	29.54
Polarizability	22.19
Ring Count	1
Rotatable Bond Count	3

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