tert-butyl 3-{[(4-bromophenyl)methyl]amino}azetidine-1-carboxylate

tert-butyl 3-{[(4-bromophenyl)methyl]amino}azetidine-1-carboxylate

CAS: 887579-73-9

Formula: C15H21BrN2O2

SMILES: CC(C)(C)OC(=O)N1CC(C1)NCC1=CC=C(Br)C=C1

IUPAC: tert-butyl 3-{[(4-bromophenyl)methyl]amino}azetidine-1-carboxylate

InChI: InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-9-13(10-18)17-8-11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3

Composition: C (52.80%), H (6.20%), Br (23.42%), N (8.21%), O (9.38%)

Molar Mass: 341.249

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	340.078641
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XFFNVMFRFQJEGT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.35
Topological Polar Surface Area	41.57
Polarizability	32.36
Ring Count	2
Rotatable Bond Count	5

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