4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid

CAS: 1010836-19-7

Formula: C11H15BO4S

SMILES: CC1(C)OB(OC1(C)C)C1=CSC(=C1)C(O)=O

IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylic acid

InChI: InChI=1S/C11H15BO4S/c1-10(2)11(3,4)16-12(15-10)7-5-8(9(13)14)17-6-7/h5-6H,1-4H3,(H,13,14)

Composition: C (51.99%), H (5.95%), B (4.25%), O (25.18%), S (12.62%)

Molar Mass: 254.11

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.07841
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	ZDNZEHFXGXIPLX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.86
Topological Polar Surface Area	55.76
Polarizability	25.08
Ring Count	2
Rotatable Bond Count	2

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