tert-butyl 3-bromo-4-hydroxypyrrolidine-1-carboxylate

tert-butyl 3-bromo-4-hydroxypyrrolidine-1-carboxylate

CAS: 1017782-17-0

Formula: C9H16BrNO3

SMILES: CC(C)(C)OC(=O)N1CC(O)C(Br)C1

IUPAC: tert-butyl 3-bromo-4-hydroxypyrrolidine-1-carboxylate

InChI: InChI=1/C9H16BrNO3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5H2,1-3H3

Composition: C (40.62%), H (6.06%), Br (30.02%), N (5.26%), O (18.03%)

Molar Mass: 266.135

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	265.031356
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JVRIILICSFSOJD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.68
Topological Polar Surface Area	49.77
Polarizability	22.02
Ring Count	1
Rotatable Bond Count	2

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