AG00EDB7

628692-17-1 | 1-benzothien-7-ylboronic acid

AG00EDB7

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CAS Number	628692-17-1
Catalog Number	AG00EDB7(AGN-PC-013OWU)
Chemical Name	1-benzothien-7-ylboronic acid
IUPAC Name	1-benzothiophen-7-ylboronic acid
InChI	InChI=1S/C8H7BO2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5,10-11H
InChI Key	RVFILKCRCVFHPV-UHFFFAOYSA-N
MDL Number	MFCD06740320
Molecular Formula	C8H7BO2S
Molecular Weight	178.0160
SMILES	OB(O)C1=CC=CC2=C1SC=C2
Synonyms	1-Benzothien-7-ylboronic acid, 628692-17-1, Benzo[b]thiophen-7-ylboronic acid, 1-benzothiophen-7-ylboronic acid, BORONIC ACID, BENZO[B]THIEN-7-YL-, Benzo[b]thiophene-7-boronic acid, ACMC-209n9h, 7-Benzothiopheneboronic acid, 7-benzothiophene boronic acid, SCHEMBL394147, CTK5B6411, DTXSID80586296, RVFILKCRCVFHPV-UHFFFAOYSA-N, ALBB-011877, (1-benzothiophen-7-yl)boronic acid, ANW-34419, KM0664, MFCD06740320, AKOS003237597, Boronic acid, B-benzo[b]thien-7-yl-, ZINC169889670, AB29070, FS-6341, MCULE-3908521602, AB0064822, AB1008762, RT-018174, FT-0683395, V6980, I04-5825, null, C8H7BO2S, 1-Benzothien-7-ylboronicacid,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.026g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	178.012g/mol
Monoisotopic Mass	178.026g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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