tert-butyl 17-bromoheptadecanoate

tert-butyl 17-bromoheptadecanoate

CAS: 2428400-70-6

Formula: C21H41BrO2

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

IUPAC: tert-butyl 17-bromoheptadecanoate

InChI: InChI=1S/C21H41BrO2/c1-21(2,3)24-20(23)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-22/h4-19H2,1-3H3

Composition: C (62.21%), H (10.19%), Br (19.71%), O (7.89%)

Molar Mass: 405.461

Atom Count: 65

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	404.228994
Formal Charge	0
FSP3	0.95
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PVRRVCCBWFLFHL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	108.22
Topological Polar Surface Area	26.3
Polarizability	42.75
Ring Count	0
Rotatable Bond Count	18

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	2428400-70-6		$27.74-$286.25$27.74$46.66$98.36$286.25