AG000Z0S

129271-98-3 | Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-3-yl]-

AG000Z0S

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CAS Number	129271-98-3
Catalog Number	AG000Z0S(AGN-PC-0KKXDC)
Chemical Name	Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-3-yl]-
IUPAC Name	[1-(benzenesulfonyl)indol-3-yl]boronic acid
InChI	InChI=1S/C14H12BNO4S/c17-15(18)13-10-16(14-9-5-4-8-12(13)14)21(19,20)11-6-2-1-3-7-11/h1-10,17-18H
InChI Key	YKTZLHLBQGCFQX-UHFFFAOYSA-N
MDL Number	MFCD02681892
Molecular Formula	C14H12BNO4S
Molecular Weight	301.1254
SMILES	OB(O)C1=CN(C2=C1C=CC=C2)S(=O)(=O)C1=CC=CC=C1
Synonyms	129271-98-3, 1-(Phenylsulfonyl)-3-indoleboronic acid, 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid, (1-(Phenylsulfonyl)-1H-indol-3-yl)boronic acid, 1-PHENYLSULFONYLINDOLE-3-BORONIC ACID, 1-(Phenylsulphonyl)-1H-indole-3-boronic acid, Boronic acid, B-[1-(phenylsulfonyl)-1H-indol-3-yl]-, 1-(Phenylsulfonyl)-3-indolylboronic acid, AK-48851, [1-(benzenesulfonyl)-1H-indol-3-yl]boronic acid, 1-(PHENYLSULFONYL)-1H-INDOLE-3-BORONIC ACID, J-503592, [1-(benzenesulfonyl)indol-3-yl]boronic Acid, akos brn-0396, AC1MCQSY, ACMC-209bgk, SCHEMBL819444, AC1Q716W, CTK0H3469, DTXSID70379896, YKTZLHLBQGCFQX-UHFFFAOYSA-N, ZX-AT000097, ANW-19122, MFCD02681892, N-phenylsulfonylindole-3-boronic acid, 1-phenylsulphonylindole-3-boronic acid, AKOS004116601, ZINC169743682, AB12152, OR23047, PS-9485, RP06815, RTR-004054, VB10493, 3-Borono-1-(phenylsulfonyl)-1H-indole, 1-(phenylsulfonyl)-3-indoleboronic aci&, ACM129271983, CC-02487, EN000419, N979, SY232262, 1-(benzenesulfonyl)indol-3-ylboronic acid, [1-(phenylsulfonyl)indol-3-yl]boronic acid, AB0016175, AX8015240, DB-041921, TR-004054, [1-(benzenesulfonyl)-3-indolyl]boronic acid, AM20020374, FT-0605854, ST24033481, 1-benzenesulfonyl-1H-indol-3-yl-boronic acid, MFCD02681892 (97%), [1-(benzenesulfonyl)-1H-indol-3-yl]boranediol, 1-(Phenylsulfonyl)-1H-indole-3-ylboronic acid, B-3734, 1-(Phenylsulfonyl)-3-indolylboronic acid, 97%, A805919, C-18798, 1-(phenylsulphonyl)-1h-indole-3-boronic acid 97%, Boronic acid, [1-(phenylsulfonyl)-1H-indol-3-yl]-, Boronic acid,b-[1-(phenylsulfonyl)-1H-indol-3-yl]-, I14-35296, C14H12BNO4S, CID2776217,

Complexity	458
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.058g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	301.123g/mol
Monoisotopic Mass	301.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number