AG008FBF

871332-66-0 | 3-Carbamoyl-5-fluorophenylboronic acid

AG008FBF

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CAS Number	871332-66-0
Catalog Number	AG008FBF(AGN-PC-0VB27S)
Chemical Name	3-Carbamoyl-5-fluorophenylboronic acid
IUPAC Name	(3-carbamoyl-5-fluorophenyl)boronic acid
InChI	InChI=1S/C7H7BFNO3/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H2,10,11)
InChI Key	FTMWTTRIUYYHDE-UHFFFAOYSA-N
MDL Number	MFCD08056357
Molecular Formula	C7H7BFNO3
Molecular Weight	182.9448
SMILES	FC1=CC(C(N)=O)=CC(B(O)O)=C1
Synonyms	871332-66-0, (3-carbamoyl-5-fluorophenyl)boronic acid, 3-Carbamoyl-5-fluorophenylboronic acid, 3-Borono-5-fluorobenzamide, 3-(Aminocarbonyl)-5-fluorophenylboronic acid, 3-(Aminocarbonyl)-5-fluorobenzeneboronic acid, MFCD08056357, ACMC-209qgw, 3-CARBAMOYL-5-FLUOROBENZENEBORONIC ACID, SCHEMBL14120715, CTK5F7937, DTXSID30660237, ZX-AP006880, ANW-38574, FCH919630, PC5042, SBB089973, AKOS006220665, ZINC169745471, AM87294, RTR-027238, 3-Carbamoyl-5-fluorophenyl boronic acid, AK-84685, BC001683, TR-027238, ST24034339, B-4515, (3-aminocarbonyl-5-fluoranyl-phenyl)boronic acid, A841998, Boronic acid,B-[3-(aminocarbonyl)-5-fluorophenyl]-, I04-2276, 3- -5-FLUOROBENZENEBORONICACID, ACN-042618,

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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