AG004OT1

871332-75-1 | 4-Chloro-3-(pyrrolidine-1-carbonyl)phenylboronic acid

AG004OT1

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CAS Number	871332-75-1
Catalog Number	AG004OT1(AGN-PC-0VB2CP)
Chemical Name	4-Chloro-3-(pyrrolidine-1-carbonyl)phenylboronic acid
IUPAC Name	[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid
InChI	InChI=1S/C11H13BClNO3/c13-10-4-3-8(12(16)17)7-9(10)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
InChI Key	NSFDJLUUAWITQY-UHFFFAOYSA-N
MDL Number	MFCD07783867
Molecular Formula	C11H13BClNO3
Molecular Weight	253.4898
SMILES	O=C(C1=CC(B(O)O)=CC=C1Cl)N2CCCC2
Synonyms	871332-75-1, (4-Chloro-3-(pyrrolidine-1-carbonyl)phenyl)boronic acid, 4-Chloro-3-(pyrrolidine-1-carbonyl)phenylboronic acid, [4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid, ACMC-209qh5, CTK5F7946, DTXSID50661226, ANW-38583, AKOS015849942, ZINC169745103, AM87300, RTR-027247, OR360060, AX8158597, TR-027247, (5-Borono-2-chlorophenyl)carbonylpyrrolidine, ST24026273, V8366, B-4389, I04-2473, 4-Chloro-3-(1-pyrrolidinylcarbonyl)benzeneboronic acid, Boronic acid, B-[4-chloro-3-(1-pyrrolidinylcarbonyl)phenyl]-, Boronic acid,B-[4-chloro-3-(1-pyrrolidinylcarbonyl)phenyl]-, C11H13BClNO3, ACN-042663, 4-Chloro-3-(pyrrolidine-1-carbonyl)benzeneboronic acid,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.068g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	253.489g/mol
Monoisotopic Mass	253.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.8A^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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