methyl 3-bromo-5-(trifluoromethanesulfonyloxy)-4-(trimethylsilyl)benzoate

methyl 3-bromo-5-(trifluoromethanesulfonyloxy)-4-(trimethylsilyl)benzoate

CAS: 1242069-32-4

Formula: C12H14BrF3O5SSi

SMILES: COC(=O)C1=CC(OS(=O)(=O)C(F)(F)F)=C(C(Br)=C1)[Si](C)(C)C

IUPAC: methyl 3-bromo-5-(trifluoromethanesulfonyloxy)-4-(trimethylsilyl)benzoate

InChI: InChI=1S/C12H14BrF3O5SSi/c1-20-11(17)7-5-8(13)10(23(2,3)4)9(6-7)21-22(18,19)12(14,15)16/h5-6H,1-4H3

Composition: C (33.11%), H (3.24%), Br (18.36%), F (13.09%), O (18.38%), S (7.37%), Si (6.45%)

Molar Mass: 435.28

Atom Count: 37

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	433.946669
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NFXWSYPZUPJTAK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	76.95
Topological Polar Surface Area	69.67
Polarizability	32.59
Ring Count	1
Rotatable Bond Count	6

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