AG004MY2

874219-31-5 | 4-FLUORO-3-(PYRROLIDIN-1-YLCARBONYL)BENZENEBORONIC ACID

AG004MY2

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CAS Number	874219-31-5
Catalog Number	AG004MY2(AGN-PC-0VDGIN)
Chemical Name	4-FLUORO-3-(PYRROLIDIN-1-YLCARBONYL)BENZENEBORONIC ACID
IUPAC Name	[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid
InChI	InChI=1S/C11H13BFNO3/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	AOICJNUBSAKHMW-UHFFFAOYSA-N
MDL Number	MFCD08235050
Molecular Formula	C11H13BFNO3
Molecular Weight	237.0352
SMILES	c1(c(ccc(c1)B(O)O)F)C(=O)N1CCCC1
Synonyms	874219-31-5, (4-Fluoro-3-(pyrrolidine-1-carbonyl)phenyl)boronic acid, 4-FLUORO-3-(PYRROLIDINE-1-CARBONYL)PHENYLBORONIC ACID, 4-Fluoro-3-(pyrrolidin-1-ylcarbonyl)benzeneboronic acid, MFCD08235050, 4-fluoro-3-pyrrolidine-1-carbonyl phenyl boronic acid, [4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid, 4-FLUORO-3-((PYRROLIDIN-1-YL)CARBONYL)PHENYL BORONIC ACID, ACMC-209qkw, AC1Q714G, CTK5F8363, DTXSID50660219, ZX-AP006950, ANW-38718, PC4989, SBB098709, AKOS015853301, ZINC169745336, AM87318, RTR-027374, BC001884, AX8218082, TR-027374, FT-0737255, ST24034692, X1431, B-4061, A842148, (5-BORONO-2-FLUOROPHENYL)CARBONYLPYRROLIDINE, I04-2755, (4-fluoranyl-3-pyrrolidin-1-ylcarbonyl-phenyl)boronic acid, (4-Fluoro-3-(pyrrolidine-1-carbonyl)-phenyl)boronic acid, [4-fluoro-3-[oxo(1-pyrrolidinyl)methyl]phenyl]boronic acid, 4-FLUORO-3-(1-PYRROLIDINYLCARBONYL)BENZENEBORONIC ACID, Boronic acid,B-[4-fluoro-3-(1-pyrrolidinylcarbonyl)phenyl]-, 4-Fluoro-3-(pyrrolidine-1-carbonyl)phenylboronic acid, AldrichCPR, BORONIC ACID, B-[4-FLUORO-3-(1-PYRROLIDINYLCARBONYL)PHENYL]-, C11H13BFNO3, ACN-042779, (4-Fluoro-3-(pyrrolidine-1-carbonyl)phenyl)boronicacid, 4-Fluoro-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	237.097g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	237.037g/mol
Monoisotopic Mass	237.097g/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	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
UN Code	UN 2811

Certificate of Analysis

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