(5-bromo-1-benzothiophen-2-yl)methanol

(5-bromo-1-benzothiophen-2-yl)methanol

CAS: 13771-72-7

Formula: C9H7BrOS

SMILES: OCC1=CC2=CC(Br)=CC=C2S1

IUPAC: (5-bromo-1-benzothiophen-2-yl)methanol

InChI: InChI=1S/C9H7BrOS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4,11H,5H2

Composition: C (44.46%), H (2.90%), Br (32.87%), O (6.58%), S (13.19%)

Molar Mass: 243.12

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	241.940099
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	KAKXAXVTXCGICU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.62
Topological Polar Surface Area	20.23
Polarizability	21.7
Ring Count	2
Rotatable Bond Count	1

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90%	<2 Days	13771-72-7		$51.35-$86.31$51.35$63.37$86.31