AG004GDZ

874219-27-9 | 3-(Dimethylcarbamoyl)-4-fluorophenylboronic acid

AG004GDZ

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CAS Number	874219-27-9
Catalog Number	AG004GDZ(AGN-PC-0VDGH9)
Chemical Name	3-(Dimethylcarbamoyl)-4-fluorophenylboronic acid
IUPAC Name	[3-(dimethylcarbamoyl)-4-fluorophenyl]boronic acid
InChI	InChI=1S/C9H11BFNO3/c1-12(2)9(13)7-5-6(10(14)15)3-4-8(7)11/h3-5,14-15H,1-2H3
InChI Key	CRXFXVKQLCHKSK-UHFFFAOYSA-N
MDL Number	MFCD08235046
Molecular Formula	C9H11BFNO3
Molecular Weight	210.9979
SMILES	FC1=CC=C(B(O)O)C=C1C(N(C)C)=O
Synonyms	874219-27-9, (3-(Dimethylcarbamoyl)-4-fluorophenyl)boronic acid, 3-(Dimethylcarbamoyl)-4-fluorophenylboronic acid, [3-(dimethylcarbamoyl)-4-fluorophenyl]boronic acid, 4-Fluoro-3-(dimethylcarbamoyl)phenylboronic acid, 3-(Dimethylcarbamoyl)-4-fluorobenzeneboronic acid, 3-Dimethylaminocarbonyl-4-fluorophenylboronic acid, MFCD08235046, ACMC-209qks, SCHEMBL15465164, CTK5F8359, DTXSID00660224, CRXFXVKQLCHKSK-UHFFFAOYSA-N, ANW-38714, SBB094440, AKOS015850808, ZINC169745646, AM87316, PS-9651, RTR-027370, BC001885, TR-027370, ST24034268, Z0934, B-4409, N,N-DIMETHYL 5-BORONO-2-FLUOROBENZAMIDE, 3-(Dimethyl carbamoyl)-4-fluorophenylboronic acid, A842144, I04-2609, [3-(dimethylcarbamoyl)-4-fluoranyl-phenyl]boronic acid, [3-[dimethylamino(oxo)methyl]-4-fluorophenyl]boronic acid, 3-(dimethylcarbamoyl)-4-fluorobenzeneboronic acid, AldrichCPR, Boronic acid,B-[3-[(dimethylamino)carbonyl]-4-fluorophenyl]-, C9H11BFNO3, ACN-042698,

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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