AG00ACT2

162607-26-3 | 3-BROMOTHIOPHENE-2-BORONIC ACID

AG00ACT2

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CAS Number	162607-26-3
Catalog Number	AG00ACT2(AGN-PC-0KKP1S)
Chemical Name	3-BROMOTHIOPHENE-2-BORONIC ACID
IUPAC Name	(3-bromothiophen-2-yl)boronic acid
InChI	InChI=1S/C4H4BBrO2S/c6-3-1-2-9-4(3)5(7)8/h1-2,7-8H
InChI Key	QDTJETFCBPOSSV-UHFFFAOYSA-N
MDL Number	MFCD01114697
Molecular Formula	C4H4BBrO2S
Molecular Weight	206.8534
SMILES	OB(C1=C(Br)C=CS1)O
Synonyms	3-Bromothiophene-2-boronic acid, 162607-26-3, (3-bromothiophen-2-yl)boronic Acid, 3-bromothiophen-2-ylboronic acid, 3-bromo-2-thiopheneboronic acid, Boronic acid, (3-bromo-2-thienyl)- (9CI), ACMC-209dop, rarechem ah pb 0068, AC1MC7AM, SCHEMBL910699, 3-Bromothiophene-2-boronicacid, CTK0H4147, KS-00000NXT, DTXSID10376425, ANW-22007, MFCD01114697, (3-bromanylthiophen-2-yl)boronic acid, 3-BROMOTHIEN-2-YLBORONIC ACID, AKOS002662606, ZINC169748005, AB08337, RL02090, VB10081, AS-39273, (3-BROMO-2-THIENYL)-BORONIC ACID, Boronic acid,(3-bromo-2-thienyl)-(9ci), DB-028412, TL8007143, TR-006963, FT-0604696, ST24034336, X0559, BORONIC ACID, (3-BROMO-2-THIENYL)-, B-2711, A810391, I04-0739, J-512147, (3-bromo-2-thiophenyl)boronic acid, CID2762758,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.921g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	206.848g/mol
Monoisotopic Mass	205.921g/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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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