AG008TVK

1119899-37-4 | 7-Cyanobenzo[b]thiophen-2-ylboronic acid

AG008TVK

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CAS Number	1119899-37-4
Catalog Number	AG008TVK(AGN-PC-09TQJS)
Chemical Name	7-Cyanobenzo[b]thiophen-2-ylboronic acid
IUPAC Name	(7-cyano-1-benzothiophen-2-yl)boronic acid
InChI	InChI=1S/C9H6BNO2S/c11-5-7-3-1-2-6-4-8(10(12)13)14-9(6)7/h1-4,12-13H
InChI Key	AKOHCYHBCAFLGM-UHFFFAOYSA-N
MDL Number	MFCD16877453
Molecular Formula	C9H6BNO2S
Molecular Weight	203.0254
SMILES	N#CC1=C2C(C=C(B(O)O)S2)=CC=C1
Synonyms	(7-Cyanobenzo[b]thiophen-2-yl)boronic acid, 1119899-37-4, 7-cyanobenzo[b]thiophen-2-ylboronic acid, (7-cyano-1-benzothiophen-2-yl)boronic acid, AK127371, SCHEMBL3971229, KS-00000RBB, DTXSID40705148, MFCD16877453, AKOS016012652, ZINC169991723, DS-5518, FCH1348915, 7-cyanobenzo[b]thiophen-2-ylboronicacid, AX8249162, CS-0037456, 7-cyanobenzo[b]thiophen-2-yl-2-boronic acid, (7-Cyanobenzo[b]thiophen-2-yl)boronicacid,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.021g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	203.022g/mol
Monoisotopic Mass	203.021g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	92.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

Lot Number