AG004G4K

874289-13-1 | 4-(DIMETHYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID

AG004G4K

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CAS Number	874289-13-1
Catalog Number	AG004G4K(AGN-PC-0VDJ5Q)
Chemical Name	4-(DIMETHYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID
IUPAC Name	[4-(dimethylcarbamoyl)-3-fluorophenyl]boronic acid
InChI	InChI=1S/C9H11BFNO3/c1-12(2)9(13)7-4-3-6(10(14)15)5-8(7)11/h3-5,14-15H,1-2H3
InChI Key	KEZPQOGKDGNRHH-UHFFFAOYSA-N
MDL Number	MFCD08436060
Molecular Formula	C9H11BFNO3
Molecular Weight	210.9979
SMILES	FC1=CC(B(O)O)=CC=C1C(N(C)C)=O
Synonyms	874289-13-1, (4-(Dimethylcarbamoyl)-3-fluorophenyl)boronic acid, 4-(DIMETHYLCARBAMOYL)-3-FLUOROPHENYLBORONIC ACID, [4-(dimethylcarbamoyl)-3-fluorophenyl]boronic acid, MFCD08436060, 4-(DIMETHYLCARBAMOYL)-3-FLUOROBENZENEBORONIC ACID, ACMC-209qm6, AC1Q3VY4, SCHEMBL875274, CTK5F8409, DTXSID10660194, ZX-AP006902, ANW-38764, PC3564, SBB094443, AKOS015850809, ZINC169745126, AM87335, RTR-027422, AX8215459, TR-027422, FT-0769344, V8461, B-4196, A842181, I04-2608, [4-(dimethylcarbamoyl)-3-fluoranyl-phenyl]boronic acid, [4-[dimethylamino(oxo)methyl]-3-fluorophenyl]boronic acid, 4-(Dimethylcarbamoyl)-3-fluorophenylboronic acid, AldrichCPR, Boronic acid,B-[4-[(dimethylamino)carbonyl]-3-fluorophenyl]-, C9H11BFNO3, 4- -3-FLUOROBENZENEBORONICACID, ACN-042699, (4-(Dimethylcarbamoyl)-3-fluorophenyl)boronicacid, 4-Dimethylaminocarbonyl-3-fluorophenylboronic acid,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.082g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	210.999g/mol
Monoisotopic Mass	211.082g/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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