1-benzothiophen-3-ylboronic acid

1-benzothiophen-3-ylboronic acid

CAS: 113893-08-6

Formula: C8H7BO2S

SMILES: OB(O)C1=CSC2=CC=CC=C12

IUPAC: (1-benzothiophen-3-yl)boronic acid

InChI: InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H

Composition: C (53.98%), H (3.96%), B (6.07%), O (17.98%), S (18.01%)

Molar Mass: 178.01

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	178.025981
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	QVANIYYVZZLQJP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.94
Topological Polar Surface Area	40.46
Polarizability	19.72
Ring Count	2
Rotatable Bond Count	1

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