AG004OTC

871329-61-2 | 3-(Pyrrolidinylsulfonyl)phenylboronic acid

AG004OTC

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CAS Number	871329-61-2
Catalog Number	AG004OTC(AGN-PC-0713JO)
Chemical Name	3-(Pyrrolidinylsulfonyl)phenylboronic acid
IUPAC Name	(3-pyrrolidin-1-ylsulfonylphenyl)boronic acid
InChI	InChI=1S/C10H14BNO4S/c13-11(14)9-4-3-5-10(8-9)17(15,16)12-6-1-2-7-12/h3-5,8,13-14H,1-2,6-7H2
InChI Key	RCRUXZHMXFQVRF-UHFFFAOYSA-N
MDL Number	MFCD07783851
Molecular Formula	C10H14BNO4S
Molecular Weight	255.0985
SMILES	O=S(C1=CC(B(O)O)=CC=C1)(N2CCCC2)=O
Synonyms	871329-61-2, (3-(Pyrrolidin-1-ylsulfonyl)phenyl)boronic acid, 3-(pyrrolidinylsulfonyl)phenylboronic acid, MFCD07783851, 3-(1-Pyrrolidinylsulfonyl)phenylboronic acid, 3-(pyrrolidin-1-ylsulfonyl)phenylboronic acid, 3-(Pyrrolidin-1-ylsulphonyl)benzeneboronic acid, ACMC-209qg5, SCHEMBL519915, CTK5F7911, DTXSID20657434, RCRUXZHMXFQVRF-UHFFFAOYSA-N, WT841, ZX-AT010060, ANW-38547, OR9418, AKOS015854109, ZINC169745516, AM87286, RTR-027212, BP-13364, [3-(Pyrrolizinosulfonyl)phenyl]boronic acid, AX8221154, TR-027212, 3-(pyrrolidine-1-sulfonyl)phenylboronic acid, FT-0687752, X2607, 3-(1-Pyrrolidinylsulfonyl)benzeneboronic acid, [3-(Pyrrolidine-1-sulfonyl)phenyl]boronic acid, B-4190, Boronic acid,B-[3-(1-pyrrolidinylsulfonyl)phenyl]-, I04-2891, 3-(pyrrolidin-1-ylsulfonyl)phenylboronic acid, AldrichCPR, 871329-61-2 3-(pyrrolidin-1-ylsulfonyl)phenylboronic acid, 3- phenylboronicacid, C10H14BNO4S, 3-(N-Isopropylsulfamoyl)phenylboronic acid, (3-(Pyrrolidin-1-ylsulfonyl)phenyl)boronicacid, 871329-77-0,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.074g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	255.095g/mol
Monoisotopic Mass	255.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	86.2A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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