AG003BED

480438-51-5 | 1-Phenylsulfonylindole-5-boronic acid

AG003BED

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CAS Number	480438-51-5
Catalog Number	AG003BED(AGN-PC-0KKPDS)
Chemical Name	1-Phenylsulfonylindole-5-boronic acid
IUPAC Name	[1-(benzenesulfonyl)indol-5-yl]boronic acid
InChI	InChI=1S/C14H12BNO4S/c17-15(18)12-6-7-14-11(10-12)8-9-16(14)21(19,20)13-4-2-1-3-5-13/h1-10,17-18H
InChI Key	QBWYPMYEBNWOFW-UHFFFAOYSA-N
MDL Number	MFCD03840606
Molecular Formula	C14H12BNO4S
Molecular Weight	301.1254
SMILES	O=S(N1C=CC2=C1C=CC(B(O)O)=C2)(C3=CC=CC=C3)=O
Synonyms	480438-51-5, 1-Phenylsulfonylindole-5-boronic acid, (1-(Phenylsulfonyl)-1H-indol-5-yl)boronic acid, 1-(Phenylsulphonyl)-1H-indole-5-boronic acid, [1-(Benzenesulfonyl)-1H-indol-5-yl]boronic acid, ACMC-1BNAM, AC1MC7ZU, [1-(benzenesulfonyl)indol-5-yl]boronic Acid, SCHEMBL15757393, CTK4J0585, DTXSID50376828, QBWYPMYEBNWOFW-UHFFFAOYSA-N, ZX-AT018692, ANW-30609, MFCD03840606, OR3696, AKOS004114153, ZINC169810994, AB16468, RTR-017629, AK-96223, 1-(benzenesulfonyl)indol-5-ylboronic acid, AX8240009, TR-017629, V6134, B-2343, 1-(Phenylsulfonyl)-1H-indol-5-yl boronic acid, 1-(PHENYLSULFONYL)-5-INDOLEBORONIC ACID, I04-2304, C14H12BNO4S, 1- -5-INDOLEBORONICACID, CID2763234,

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

Certificate of Analysis

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