AG0032CP

874289-21-1 | N-(2-Hydroxyethyl) 4-borono-2-fluorobenzamide

AG0032CP

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CAS Number	874289-21-1
Catalog Number	AG0032CP(AGN-PC-0786LC)
Chemical Name	N-(2-Hydroxyethyl) 4-borono-2-fluorobenzamide
IUPAC Name	[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C9H11BFNO4/c11-8-5-6(10(15)16)1-2-7(8)9(14)12-3-4-13/h1-2,5,13,15-16H,3-4H2,(H,12,14)
InChI Key	RNKVHZGEFMLELU-UHFFFAOYSA-N
MDL Number	MFCD08689535
Molecular Formula	C9H11BFNO4
Molecular Weight	226.9973
SMILES	FC=1C=C(C=CC1C(NCCO)=O)B(O)O
Synonyms	874289-21-1, (3-Fluoro-4-((2-hydroxyethyl)carbamoyl)phenyl)boronic acid, N-(2-Hydroxyethyl) 4-borono-2-fluorobenzamide, MFCD08689535, 3-Fluoro-4-[(2-hydroxyethyl)carbamoyl]benzeneboronic acid, 3-Fluoro-4-(2-hydroxyethylaminocarbonyl)phenylboronic acid, {3-Fluoro-4-[(2-hydroxyethyl)carbamoyl]phenyl}boronic acid, ACMC-209qme, SCHEMBL14743123, CTK5F8417, DTXSID60660265, RNKVHZGEFMLELU-UHFFFAOYSA-N, ZX-AP000466, 3841AC, ANW-38772, PC7183, SBB097071, AKOS015833597, ZINC169745394, PS-9561, AX8231587, TR-027430, FT-0688810, ST24020397, B-4348, A842188, 3-fluoro-4-(2-hydroxyethylcarbamoyl)phenylboronic acid, I01-10593, 3-fluoro-4-[(2-hydroxyethyl)carbamoyl]phenylboronic acid, [3-fluoranyl-4-(2-hydroxyethylcarbamoyl)phenyl]boronic acid, 3-fluoro-4-[(2-hydroxyethyl)-carbamoyl]benzeneboronic acid, (3-Fluoro-4-((2-hydroxyethyl)carbamoyl)-phenyl)boronic acid, [3-fluoro-4-[(2-hydroxyethylamino)-oxomethyl]phenyl]boronic acid, Boronic acid,B-[3-fluoro-4-[[(2-hydroxyethyl)amino]carbonyl]phenyl]-, C9H11BFNO4, 3-FLUORO-4- PHENYLBORONICACID, ACN-042739, [3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]boronic acid, (3-Fluoro-4-((2-hydroxyethyl)carbamoyl)phenyl)boronicacid,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.077g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	226.998g/mol
Monoisotopic Mass	227.077g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	89.8A^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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