tert-butyl 3-bromo-3-(hydroxymethyl)azetidine-1-carboxylate

tert-butyl 3-bromo-3-(hydroxymethyl)azetidine-1-carboxylate

CAS: 2007919-81-3

Formula: C9H16BrNO3

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

IUPAC: tert-butyl 3-bromo-3-(hydroxymethyl)azetidine-1-carboxylate

InChI: InChI=1S/C9H16BrNO3/c1-8(2,3)14-7(13)11-4-9(10,5-11)6-12/h12H,4-6H2,1-3H3

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	0
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	AFCHOIOACNROFT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.9
Topological Polar Surface Area	49.77
Polarizability	22.02
Ring Count	1
Rotatable Bond Count	3

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