tert-butyl N-[(23-bromo-3,6,9,12,15,18,21-heptaoxatricosan-1-yl)oxy]carbamate

tert-butyl N-[(23-bromo-3,6,9,12,15,18,21-heptaoxatricosan-1-yl)oxy]carbamate

CAS: 2353410-15-6

Formula: C21H42BrNO10

SMILES: CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCOCCOCCBr

IUPAC: tert-butyl N-[(23-bromo-3,6,9,12,15,18,21-heptaoxatricosan-1-yl)oxy]carbamate

InChI: InChI=1S/C21H42BrNO10/c1-21(2,3)33-20(24)23-32-19-18-31-17-16-30-15-14-29-13-12-28-11-10-27-9-8-26-7-6-25-5-4-22/h4-19H2,1-3H3,(H,23,24)

Composition: C (45.99%), H (7.72%), Br (14.57%), N (2.55%), O (29.17%)

Molar Mass: 548.468

Atom Count: 75

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	547.19921
Formal Charge	0
FSP3	0.95
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
InChIKey	UGNDUVCNGCTJLO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	125.77
Topological Polar Surface Area	112.17
Polarizability	49.86
Ring Count	0
Rotatable Bond Count	26

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95%	<2 Days	2353410-15-6		$368.55-$1,067.85$368.55$737.10$1,067.85