AG00D8UN

499769-92-5 | 4-Bromothiophene-2-boronic acid

AG00D8UN

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CAS Number	499769-92-5
Catalog Number	AG00D8UN(AGN-PC-0S5ERR)
Chemical Name	4-Bromothiophene-2-boronic acid
IUPAC Name	(4-bromothiophen-2-yl)boronic acid
InChI	InChI=1S/C4H4BBrO2S/c6-3-1-4(5(7)8)9-2-3/h1-2,7-8H
InChI Key	JNBQQYFWHGVOBY-UHFFFAOYSA-N
MDL Number	MFCD03094994
Molecular Formula	C4H4BBrO2S
Molecular Weight	206.8534
SMILES	BrC1=CSC(B(O)O)=C1
Synonyms	499769-92-5, (4-Bromothiophen-2-yl)boronic acid, 4-Bromothiophene-2-boronic acid, 3-BROMOTHIOPHENE-5-BORONIC ACID, PubChem1764, ACMC-1AL77, SCHEMBL152939, CTK4J1847, KS-00000KLP, DTXSID20629616, (4-bromo-2-thiophenyl)boronic acid, ANW-30881, MFCD03094994, (4-bromanylthiophen-2-yl)boronic acid, AKOS003585302, ZINC169748405, AB13406, Boronic acid, B-(4-bromo-2-thienyl)-, AK-84254, BC002206, DS-17403, TR-017905, 3-bromothiophene-5-boronic acid, AldrichCPR, ST24034638, X0867, A-5724, A827908, I04-1822, C4H4BBrO2S, 3-BROMOTHIOPHENE-5-BORONICACID, 4-BROMOTHIOPHEN-2-YLBORONIC ACID,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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