(1-Benzothiophen-4-yl)boronic acid - CAS 177735-30-7

Name: (1-Benzothiophen-4-yl)boronic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB073875
Product Name:	(1-Benzothiophen-4-yl)boronic acid
CAS:	177735-30-7
Synonyms:	(1-Benzothiophen-4-yl)boronic acid; benzo[b]thiophen-4-ylboronic acid; 1-benzothiophen-4-ylboronic acid; (1-Benzothiophen-4-yl)boronicacid; boronic acid,b-benzo[b]thien-4-yl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-benzothiophen-4-ylboronic acid
Description:	(1-Benzothiophen-4-yl)boronic acid
Molecular Weight:	178.02
Molecular Formula:	C8H7BO2S
Canonical SMILES:	B(C1=C2C=CSC2=CC=C1)(O)O
InChI:	InChI=1S/C8H7BO2S/c10-9(11)7-2-1-3-8-6(7)4-5-12-8/h1-5,10-11H
InChI Key:	CVFRBXCMTNBDBI-UHFFFAOYSA-N

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Related Functional Groups

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

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.0259808
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	178.0259808
Rotatable Bond Count:	1
Topological Polar Surface Area:	68.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0