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

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

CAS: 1073354-61-6

Formula: C11H14BNO2S

SMILES: CC1(C)OB(OC1(C)C)C1=CSC=C1C#N

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

InChI: InChI=1S/C11H14BNO2S/c1-10(2)11(3,4)15-12(14-10)9-7-16-6-8(9)5-13/h6-7H,1-4H3

Composition: C (56.20%), H (6.00%), B (4.60%), N (5.96%), O (13.61%), S (13.64%)

Molar Mass: 235.11

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.08383
Formal Charge	0
FSP3	0.55
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HXVZWNQWHLJIAI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.54
Topological Polar Surface Area	42.25
Polarizability	24.52
Ring Count	2
Rotatable Bond Count	1

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