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methyl 2-(2,3,4,5,6-pentafluorophenoxysulfonyl)benzoate

methyl 2-(2,3,4,5,6-pentafluorophenoxysulfonyl)benzoate

CAS: 886361-14-4

Formula: C14H7F5O5S

SMILES: COC(=O)C1=C(C=CC=C1)S(=O)(=O)OC1=C(F)C(F)=C(F)C(F)=C1F

IUPAC: methyl 2-[(2,3,4,5,6-pentafluorophenoxy)sulfonyl]benzoate

InChI: InChI=1S/C14H7F5O5S/c1-23-14(20)6-4-2-3-5-7(6)25(21,22)24-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3

Composition: C (43.99%), H (1.85%), F (24.85%), O (20.93%), S (8.39%)

Molar Mass: 382.26

Atom Count: 32

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 381.993435314
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey DJNFRUSKGQGIHM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.05
Topological Polar Surface Area 69.67
Polarizability 28.33
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 886361-14-4 $51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07
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