tert-butyl 3-bromoazetidine-1-carboxylate

tert-butyl 3-bromoazetidine-1-carboxylate

CAS: 1064194-10-0

Formula: C8H14BrNO2

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

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

InChI: InChI=1S/C8H14BrNO2/c1-8(2,3)12-7(11)10-4-6(9)5-10/h6H,4-5H2,1-3H3

Composition: C (40.70%), H (5.98%), Br (33.84%), N (5.93%), O (13.55%)

Molar Mass: 236.109

Atom Count: 26

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	235.020792
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RUTPPPNQDPSSBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.72
Topological Polar Surface Area	29.54
Polarizability	19.5
Ring Count	1
Rotatable Bond Count	2

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