[(2R,3R,4R,5S)-3-(benzoyloxy)-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate

[(2R,3R,4R,5S)-3-(benzoyloxy)-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate

CAS: 1233335-84-6

Formula: C20H18BrFO5

SMILES: C[C@]1(F)[C@H](Br)O[C@H](COC(=O)C2=CC=CC=C2)[C@H]1OC(=O)C1=CC=CC=C1

IUPAC: [(2R,3R,4R,5S)-3-(benzoyloxy)-5-bromo-4-fluoro-4-methyloxolan-2-yl]methyl benzoate

InChI: InChI=1S/C20H18BrFO5/c1-20(22)16(27-18(24)14-10-6-3-7-11-14)15(26-19(20)21)12-25-17(23)13-8-4-2-5-9-13/h2-11,15-16,19H,12H2,1H3/t15-,16-,19-,20-/m1/s1

Composition: C (54.94%), H (4.15%), Br (18.27%), F (4.34%), O (18.29%)

Molar Mass: 437.261

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	436.032165
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BXKUNDXPWMNAMP-XNFNUYLZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.91
Topological Polar Surface Area	61.83
Polarizability	38.64
Ring Count	3
Rotatable Bond Count	7

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