2,3,4,5,6-pentafluorophenyl 1,3-benzothiazole-2-sulfonate

2,3,4,5,6-pentafluorophenyl 1,3-benzothiazole-2-sulfonate

CAS: 1199262-24-2

Formula: C13H4F5NO3S2

SMILES: FC1=C(F)C(F)=C(OS(=O)(=O)C2=NC3=CC=CC=C3S2)C(F)=C1F

IUPAC: 2,3,4,5,6-pentafluorophenyl 1,3-benzothiazole-2-sulfonate

InChI: InChI=1S/C13H4F5NO3S2/c14-7-8(15)10(17)12(11(18)9(7)16)22-24(20,21)13-19-5-3-1-2-4-6(5)23-13/h1-4H

Composition: C (40.95%), H (1.06%), F (24.91%), N (3.67%), O (12.59%), S (16.82%)

Molar Mass: 381.29

Atom Count: 28

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	380.955276156
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CANSIUVYLYIELZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.57
Topological Polar Surface Area	56.26
Polarizability	29.06
Ring Count	3
Rotatable Bond Count	3

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