AG00I4L7

237429-33-3 | Boronic acid, (4-mercaptophenyl)-

AG00I4L7

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CAS Number	237429-33-3
Catalog Number	AG00I4L7(AGN-PC-0LB0MW)
Chemical Name	Boronic acid, (4-mercaptophenyl)-
IUPAC Name	(4-sulfanylphenyl)boronic acid
InChI	InChI=1S/C6H7BO2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,8-10H
InChI Key	AUVSUPMVIZXUOG-UHFFFAOYSA-N
MDL Number	MFCD03093887
Molecular Formula	C6H7BO2S
Molecular Weight	153.9946
SMILES	OB(C1=CC=C(S)C=C1)O
Synonyms	4-mercaptophenylboronic acid, 4-Mercaptophenylboronic acid, 237429-33-3, (4-sulfanylphenyl)boronic acid, 4-mercaptophenylboronicacid, (4-mercaptophenyl)boronic acid, Boronic acid, (4-mercaptophenyl)-, 4-mercaptophenyl boronic acid, AK-41540, Q-102216, PubChem1862, AC1NAS9I, ACMC-209g5m, 4-Mercaptobenzeneboronic Acid, SCHEMBL387304, CTK4F2153, DTXSID20403236, AUVSUPMVIZXUOG-UHFFFAOYSA-N, 4-Mercaptophenylboronic acid, 90%, ACT05122, BCP06691, KS-00000WS8, Boronic acid,B-(4-mercaptophenyl)-, ANW-25208, CM-405, FC0878, MFCD03093887, AKOS015855920, Boronic acid, B-(4-mercaptophenyl)-, ZINC169744831, AB13276, AS06762, FCH1119767, GS-6254, LS00089, RTC-061014, TRA0096032, AC-26808, AN-29360, BC000826, BR-41540, N820, OR315062, SC-02746, AB0005850, AB1005700, DB-031705, TR-054616, 4CH-006233, A4950, AM20030415, FT-0630241, M2418, ST24032812, A-9045, 429M333, I01-3484, null, C6H7BO2S, ACN-032755, CID4431894, 5-CHLORO-N-[3-(2-ETHOXYETHOXY)BENZYL]-2-METHYLANILINE,

Complexity	102
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.026g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	153.99g/mol
Monoisotopic Mass	154.026g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.5A^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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