5,6-difluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole

5,6-difluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole

CAS: 1295502-63-4

Formula: C18H24B2F2N2O4S

SMILES: CC1(C)OB(OC1(C)C)C1=C(F)C(F)=C(B2OC(C)(C)C(C)(C)O2)C2=NSN=C12

IUPAC: 5,6-difluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole

InChI: InChI=1S/C18H24B2F2N2O4S/c1-15(2)16(3,4)26-19(25-15)9-11(21)12(22)10(14-13(9)23-29-24-14)20-27-17(5,6)18(7,8)28-20/h1-8H3

Composition: C (50.98%), H (5.70%), B (5.10%), F (8.96%), N (6.61%), O (15.09%), S (7.56%)

Molar Mass: 424.08

Atom Count: 53

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	424.161095
Formal Charge	0
FSP3	0.67
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	UFEWAOLQODIZHB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	96.28
Topological Polar Surface Area	62.7
Polarizability	41.56
Ring Count	4
Rotatable Bond Count	2

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