AG00010S

100124-07-0 | Boronic acid, B-4-phenoxathiinyl-

AG00010S

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CAS Number	100124-07-0
Catalog Number	AG00010S(AGN-PC-0KK6J8)
Chemical Name	Boronic acid, B-4-phenoxathiinyl-
IUPAC Name	phenoxathiin-4-ylboronic acid
InChI	InChI=1S/C12H9BO3S/c14-13(15)8-4-3-7-11-12(8)16-9-5-1-2-6-10(9)17-11/h1-7,14-15H
InChI Key	IIENVBUXFRSCLM-UHFFFAOYSA-N
MDL Number	MFCD01605731
Molecular Formula	C12H9BO3S
Molecular Weight	244.0741
SMILES	OB(O)C1=C2OC3=CC=CC=C3SC2=CC=C1
Synonyms	Phenoxathiin-4-boronic acid, 100124-07-0, Phenoxathiin-4-ylboronic Acid, 4-PHENOXATHIINYLBORONIC ACID, Boronic acid, B-4-phenoxathiinyl-, Boronic acid,B-4-phenoxathiinyl-, Phenoxathiin-4-boronicacid, ACMC-20ahtj, PubChem8089, AC1MC0ZU, C12H9BO3S, SCHEMBL2762793, CTK3J8566, 4-PHENOXATHIINBORONIC ACID, DTXSID10370266, IIENVBUXFRSCLM-UHFFFAOYSA-N, 4-PHENOXATHIINEBORONIC ACID, ZX-AT010783, ZX-CM001743, ANW-74021, MFCD01605731, OR5866, SBB099788, AKOS004113765, ZINC169794930, AB09295, RP05955, RTR-000042, AK-89064, AN-34484, AS-30500, CC-33636, N977, AX8014418, TR-000042, FT-0642416, C-1345, 124P070, C-14762, I04-4410, J-000049, J-515922, CID2734376, 4-ethoxy-3-(hydroxymethyl)benzaldehyde hydrate, A16150,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.037g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.071g/mol
Monoisotopic Mass	244.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	75A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H315-H335
Packing Group
Precautionary statements	P261-P352-P280-P305+P351+P338
UN Code

Certificate of Analysis

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