B-(4-Fluoro-2-thienyl)boronic Acid - CAS 1360465-66-2

Catalog:	BB063354
Product Name:	B-(4-Fluoro-2-thienyl)boronic Acid
CAS:	1360465-66-2
Synonyms:	(4-Fluorothiophen-2-yl)boronic acid; (4-Fluorothiophen-2-yl)boronicacid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(4-fluorothiophen-2-yl)boronic acid
Molecular Weight:	145.95
Molecular Formula:	C4H4BFO2S
Canonical SMILES:	B(C1=CC(=CS1)F)(O)O
InChI:	InChI=1S/C4H4BFO2S/c6-3-1-4(5(7)8)9-2-3/h1-2,7-8H
InChI Key:	AECKELOUQSTTIL-UHFFFAOYSA-N

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.0009089
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	146.0009089
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0