trifluoromethanesulfonyl benzoate

trifluoromethanesulfonyl benzoate

CAS: 36967-85-8

Formula: C8H5F3O4S

SMILES: FC(F)(F)S(=O)(=O)OC(=O)C1=CC=CC=C1

IUPAC: trifluoromethanesulfonyl benzoate

InChI: InChI=1S/C8H5F3O4S/c9-8(10,11)16(13,14)15-7(12)6-4-2-1-3-5-6/h1-5H

Composition: C (37.80%), H (1.98%), F (22.42%), O (25.18%), S (12.61%)

Molar Mass: 254.18

Atom Count: 21

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.986064304
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GEZVJNXOBFDIPM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.8
Topological Polar Surface Area	60.44
Polarizability	18.66
Ring Count	1
Rotatable Bond Count	4

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