2,4,6-tris(2-bromopropan-2-yl)-1,3,5-trioxane

2,4,6-tris(2-bromopropan-2-yl)-1,3,5-trioxane

CAS: 7472-00-6

Formula: C12H21Br3O3

SMILES: CC(C)(Br)C1OC(OC(O1)C(C)(C)Br)C(C)(C)Br

IUPAC: 2,4,6-tris(2-bromopropan-2-yl)-1,3,5-trioxane

InChI: InChI=1S/C12H21Br3O3/c1-10(2,13)7-16-8(11(3,4)14)18-9(17-7)12(5,6)15/h7-9H,1-6H3

Composition: C (31.82%), H (4.67%), Br (52.92%), O (10.60%)

Molar Mass: 453.009

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	449.904084
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KTNYNRJPTHZVNU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	81.49
Topological Polar Surface Area	27.69
Polarizability	32.91
Ring Count	1
Rotatable Bond Count	3

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