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2-methoxyphenyl trifluoromethanesulfonate

2-methoxyphenyl trifluoromethanesulfonate

CAS: 59099-58-0

Formula: C8H7F3O4S

SMILES: COC1=CC=CC=C1OS(=O)(=O)C(F)(F)F

IUPAC: 2-methoxyphenyl trifluoromethanesulfonate

InChI: InChI=1S/C8H7F3O4S/c1-14-6-4-2-3-5-7(6)15-16(12,13)8(9,10)11/h2-5H,1H3

Composition: C (37.51%), H (2.75%), F (22.25%), O (24.98%), S (12.51%)

Molar Mass: 256.2

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 256.001714368
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RCDZTJFBROIDKD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.71
Topological Polar Surface Area 52.6
Polarizability 19.22
Ring Count 1
Rotatable Bond Count 4

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