6-methoxy-1-benzothiophen-2-ylboronic acid

6-methoxy-1-benzothiophen-2-ylboronic acid

CAS: 182133-35-3

Formula: C9H9BO3S

SMILES: COC1=CC=C2C=C(SC2=C1)B(O)O

IUPAC: (6-methoxy-1-benzothiophen-2-yl)boronic acid

InChI: InChI=1S/C9H9BO3S/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5,11-12H,1H3

Composition: C (51.96%), H (4.36%), B (5.20%), O (23.07%), S (15.41%)

Molar Mass: 208.04

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	208.036545
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PNRDOYJXKKKYSU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.57
Topological Polar Surface Area	49.69
Polarizability	22.22
Ring Count	2
Rotatable Bond Count	2

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