AG003BEE

480438-52-6 | 1-Phenylsulfonylindole-6-boronic acid

AG003BEE

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CAS Number	480438-52-6
Catalog Number	AG003BEE(AGN-PC-0KKPDT)
Chemical Name	1-Phenylsulfonylindole-6-boronic acid
IUPAC Name	[1-(benzenesulfonyl)indol-6-yl]boronic acid
InChI	InChI=1S/C14H12BNO4S/c17-15(18)12-7-6-11-8-9-16(14(11)10-12)21(19,20)13-4-2-1-3-5-13/h1-10,17-18H
InChI Key	RVWRLLZYYUIBOX-UHFFFAOYSA-N
MDL Number	MFCD03840611
Molecular Formula	C14H12BNO4S
Molecular Weight	301.1254
SMILES	OB(O)C1=CC2=C(C=CN2S(=O)(=O)C2=CC=CC=C2)C=C1
Synonyms	1-Phenylsulfonylindole-6-boronic acid, 480438-52-6, (1-(Phenylsulfonyl)-1H-indol-6-yl)boronic acid, 1-(Phenylsulphonyl)-1H-indole-6-boronic acid, ACMC-209kbo, AC1MC7ZW, [1-(benzenesulfonyl)indol-6-yl]boronic Acid, CTK4J0586, DTXSID10376829, ZX-AT021680, ANW-30610, MFCD03840611, OR3698, AKOS015840620, ZINC169810988, AB16471, 1-(benzenesulfonyl)indol-6-ylboronic acid, AX8234942, P2215M500, TR-017630, V6135, 1-(phenylsulfonyl)-1H-indol-6-ylboronic acid, B-2332, EN300-212677, 1-(PHENYLSULFONYL)-6-INDOLEBORONIC ACID, 1-PHENYLSULFONYL-1H-INDOLE-6-BORONIC ACID, C14H12BNO4S, CID2763235, (1-(Phenylsulfonyl)-1H-indol-6-yl)boronicacid,

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	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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