AG004TVK

871329-68-9 | 4-(Azetidin-1-ylsulfonyl)phenylboronic acid

AG004TVK

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CAS Number	871329-68-9
Catalog Number	AG004TVK(AGN-PC-0VB2NN)
Chemical Name	4-(Azetidin-1-ylsulfonyl)phenylboronic acid
IUPAC Name	[4-(azetidin-1-ylsulfonyl)phenyl]boronic acid
InChI	InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)16(14,15)11-6-1-7-11/h2-5,12-13H,1,6-7H2
InChI Key	IOGLONDWRZETTA-UHFFFAOYSA-N
MDL Number	MFCD07363756
Molecular Formula	C9H12BNO4S
Molecular Weight	241.0719
SMILES	O=S(C1=CC=C(B(O)O)C=C1)(N2CCC2)=O
Synonyms	871329-68-9, 4-(AZETIDIN-1-YLSULFONYL)PHENYLBORONIC ACID, (4-(Azetidin-1-ylsulfonyl)phenyl)boronic acid, 4-(1-AZETIDINYLSULFONYL)PHENYLBORONIC ACID, 1-(4-BORONOPHENYLSULFONYL)AZETIDINE, [4-(Azetidine-1-sulfonyl)phenyl]boronic acid, {4-[(Azetidin-1-Yl)sulfonyl]phenyl}boronic Acid, Boronic acid,B-[4-(1-azetidinylsulfonyl)phenyl]-, ACMC-209qgc, SCHEMBL289460, CTK5F7918, DTXSID10661207, IOGLONDWRZETTA-UHFFFAOYSA-N, ANW-38554, MFCD07363756, AKOS015854059, ZINC169745098, AB30701, RTR-027218, OR360660, SC-53265, TR-027218, FT-0687799, X2612, B-4343, 4-(1-AZETIDINYLSULFONYL)BENZENEBORONIC ACID, I04-2889, C9H12BNO4S, JW8,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.058g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	241.068g/mol
Monoisotopic Mass	241.058g/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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