AG0036C3

871333-00-5 | 2-Methyl-5-(piperidin-1-ylsulfonyl)phenylboronic acid

AG0036C3

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CAS Number	871333-00-5
Catalog Number	AG0036C3(AGN-PC-0VB2MO)
Chemical Name	2-Methyl-5-(piperidin-1-ylsulfonyl)phenylboronic acid
IUPAC Name	(2-methyl-5-piperidin-1-ylsulfonylphenyl)boronic acid
InChI	InChI=1S/C12H18BNO4S/c1-10-5-6-11(9-12(10)13(15)16)19(17,18)14-7-3-2-4-8-14/h5-6,9,15-16H,2-4,7-8H2,1H3
InChI Key	QPJRVQFTOJXHOV-UHFFFAOYSA-N
MDL Number	MFCD08056364
Molecular Formula	C12H18BNO4S
Molecular Weight	283.1516
SMILES	CC1=C(C=C(C=C1)S(=O)(=O)N1CCCCC1)B(O)O
Synonyms	871333-00-5, (2-Methyl-5-(piperidin-1-ylsulfonyl)phenyl)boronic acid, 2-Methyl-5-(piperidin-1-ylsulfonyl)phenylboronic acid, 2-Methyl-5-(piperidin-1-ylsulphonyl)benzeneboronic acid, Boronic acid,B-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-, (2-Boronotoluene-4-Sulfonyl)Piperidine, ACMC-209qht, SCHEMBL15165018, CTK5F7967, DTXSID10657428, ZX-AT010045, ANW-38607, MFCD08056364, OR9392, AKOS015842378, ZINC169745128, RTR-027271, AX8230546, TR-027271, FT-0687803, ST24020257, V8385, B-4492, I04-2400, 2-methyl-5-(piperidine-1-sulfonyl)phenylboronic acid, [2-Methyl-5-(piperidine-1-sulfonyl)phenyl]boronic acid, 2-Methyl-5-(-1-piperidinylsulfonyl)benzeneboronic acid, 2-Methyl-5-(piperidin-1-ylsulfonyl)phenyl boronic acid, Boronic acid, B-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-, C12H18BNO4S, 2-METHYL-5- PHENYLBORONICACID, (2-Methyl-5-(piperidin-1-ylsulfonyl)phenyl)boronicacid,

Complexity	389
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.105g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	283.149g/mol
Monoisotopic Mass	283.105g/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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