AG004J09

874289-39-1 | 3-Borono-4-fluorobenzamide

AG004J09

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CAS Number	874289-39-1
Catalog Number	AG004J09(AGN-PC-0VDJAN)
Chemical Name	3-Borono-4-fluorobenzamide
IUPAC Name	(5-carbamoyl-2-fluorophenyl)boronic acid
InChI	InChI=1S/C7H7BFNO3/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H2,10,11)
InChI Key	NDVPMVJEURRBQM-UHFFFAOYSA-N
MDL Number	MFCD08436055
Molecular Formula	C7H7BFNO3
Molecular Weight	182.9448
SMILES	FC1=CC=C(C(N)=O)C=C1B(O)O
Synonyms	874289-39-1, (5-carbamoyl-2-fluorophenyl)boronic acid, 3-Borono-4-fluorobenzamide, 5-Carbamoyl-2-fluorobenzeneboronic acid, 5-carbamoyl-2-fluorophenylboronic acid, 5-CARBAMOYL-2-FLUOROPHENYBORONIC ACID, MFCD08436055, [5-carbamoyl-2-fluorophenyl]boronic acid, ACMC-209qmh, SCHEMBL973928, CTK5F8420, DTXSID50660198, NDVPMVJEURRBQM-UHFFFAOYSA-N, ZX-AP006905, ANW-38775, FCH919646, PC3573, SBB089974, 2-fluoro-5-carbamoylphenylboronic acid, AKOS006221386, ZINC169745026, RTR-027433, AN-26760, BC001523, (5-carbamoyl-2-fluoro-phenyl)boronic acid, 5-carbamoyl-2-fluorobenzeneboronicacid95%, AX8229980, TR-027433, 5-carbamoyl-2-fluorobenzeneboronic acid 95%, ST24020616, Z0944, A-3892, (5-aminocarbonyl-2-fluoranyl-phenyl)boronic acid, 289C391, A842190, Boronic acid,B-[5-(aminocarbonyl)-2-fluorophenyl]-, BORONIC ACID, B-[5-(AMINOCARBONYL)-2-FLUOROPHENYL]-, C7H7BFNO3, 5-Carbamoyl-2-fluorobenzeneboronicacid, ACN-042619, (5-Carbamoyl-2-fluorophenyl)boronicacid,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.05g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	182.945g/mol
Monoisotopic Mass	183.05g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.6A^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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