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tert-butyl 20-bromo-3,6,9,12,15,18-hexaoxaicosanoate

tert-butyl 20-bromo-3,6,9,12,15,18-hexaoxaicosanoate

Formula: C18H35BrO8

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

IUPAC: tert-butyl 20-bromo-3,6,9,12,15,18-hexaoxaicosanoate

InChI: InChI=1S/C18H35BrO8/c1-18(2,3)27-17(20)16-26-15-14-25-13-12-24-11-10-23-9-8-22-7-6-21-5-4-19/h4-16H2,1-3H3

Composition: C (47.06%), H (7.68%), Br (17.39%), O (27.86%)

Molar Mass: 459.374

Atom Count: 62

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 458.151531
Formal Charge 0
FSP3 0.94
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 0
InChIKey NSJKJZIFAGKWIN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.22
Topological Polar Surface Area 81.68
Polarizability 41.72
Ring Count 0
Rotatable Bond Count 21

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Purity LeadTime Formula UnitPrice
98% <10 Days C18H35BrO8 Quote Only