AG008DLM

870718-05-1 | (3-(Ethylthio)phenyl)boronic acid

AG008DLM

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CAS Number	870718-05-1
Catalog Number	AG008DLM(AGN-PC-0KV73U)
Chemical Name	(3-(Ethylthio)phenyl)boronic acid
IUPAC Name	(3-ethylsulfanylphenyl)boronic acid
InChI	InChI=1S/C8H11BO2S/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3
InChI Key	CZODYJDCHKOBID-UHFFFAOYSA-N
MDL Number	MFCD03092930
Molecular Formula	C8H11BO2S
Molecular Weight	182.0477
SMILES	OB(C1=CC=CC(SCC)=C1)O
Synonyms	870718-05-1, (3-(Ethylthio)phenyl)boronic acid, 3-(Ethylthio)phenylboronic acid, (3-ethylsulfanylphenyl)boronic Acid, PubChem1844, AC1MQZL8, SCHEMBL852507, CTK3E7938, CZODYJDCHKOBID-UHFFFAOYSA-N, 3-(ethylsulfanyl)phenylboronic acid, MFCD03092930, AKOS015949569, ZINC169835280, AB13167, E3165G1, RP09171, RTC-068879, Boronic acid,b-[3-(ethylthio)phenyl]-, Boronic acid, B-[3-(ethylthio)phenyl]-, FT-0602256, X2546, [3-(ETHYLSULFANYL)PHENYL]BORONIC ACID, A22940, B-5185, J-512441, 3-Ethylthiophenylboronic acid, 5-ETHYLTHIOPHENYLBORONIC ACID, C8H11BO2S, 5-Ethylthiophene-2-boronic acid, 5-ethylthiophen-2-ylboronic acid, CID3484915, 162607-16-1,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.057g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.044g/mol
Monoisotopic Mass	182.057g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	65.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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