tert-butyl 11-bromoundecanoate

tert-butyl 11-bromoundecanoate

CAS: 85216-74-6

Formula: C15H29BrO2

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

IUPAC: tert-butyl 11-bromoundecanoate

InChI: InChI=1S/C15H29BrO2/c1-15(2,3)18-14(17)12-10-8-6-4-5-7-9-11-13-16/h4-13H2,1-3H3

Composition: C (56.07%), H (9.10%), Br (24.87%), O (9.96%)

Molar Mass: 321.299

Atom Count: 47

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	320.135093
Formal Charge	0
FSP3	0.93
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DIESFLMSMKQGRI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	80.62
Topological Polar Surface Area	26.3
Polarizability	31.75
Ring Count	0
Rotatable Bond Count	12

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