tert-butyl 3-(2-{2-[2-(2-bromoacetamido)ethoxy]ethoxy}ethoxy)propanoate

tert-butyl 3-(2-{2-[2-(2-bromoacetamido)ethoxy]ethoxy}ethoxy)propanoate

CAS: 1807537-33-2

Formula: C15H28BrNO6

SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)CBr

IUPAC: tert-butyl 3-(2-{2-[2-(2-bromoacetamido)ethoxy]ethoxy}ethoxy)propanoate

InChI: InChI=1S/C15H28BrNO6/c1-15(2,3)23-14(19)4-6-20-8-10-22-11-9-21-7-5-17-13(18)12-16/h4-12H2,1-3H3,(H,17,18)

Composition: C (45.23%), H (7.09%), Br (20.06%), N (3.52%), O (24.10%)

Molar Mass: 398.294

Atom Count: 51

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	397.110001
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	QAQLZWBWKHLATI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.59
Topological Polar Surface Area	83.09
Polarizability	35.33
Ring Count	0
Rotatable Bond Count	15

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