tert-butyl 3-(bromomethyl)azetidine-1-carboxylate

tert-butyl 3-(bromomethyl)azetidine-1-carboxylate

CAS: 253176-93-1

Formula: C9H16BrNO2

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

IUPAC: tert-butyl 3-(bromomethyl)azetidine-1-carboxylate

InChI: InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-5-7(4-10)6-11/h7H,4-6H2,1-3H3

Composition: C (43.22%), H (6.45%), Br (31.94%), N (5.60%), O (12.79%)

Molar Mass: 250.136

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	249.036442
Formal Charge	0
FSP3	0.89
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PUKCUGDJEPVLPR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.6
Topological Polar Surface Area	29.54
Polarizability	21.3
Ring Count	1
Rotatable Bond Count	3

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