AG004G4J

874289-14-2 | 4-(Diethylcarbamoyl)-3-fluorobenzeneboronic acid

AG004G4J

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CAS Number	874289-14-2
Catalog Number	AG004G4J(AGN-PC-0VDJ67)
Chemical Name	4-(Diethylcarbamoyl)-3-fluorobenzeneboronic acid
IUPAC Name	[4-(diethylcarbamoyl)-3-fluorophenyl]boronic acid
InChI	InChI=1S/C11H15BFNO3/c1-3-14(4-2)11(15)9-6-5-8(12(16)17)7-10(9)13/h5-7,16-17H,3-4H2,1-2H3
InChI Key	PYEVVMUOQIUNFL-UHFFFAOYSA-N
MDL Number	MFCD08436057
Molecular Formula	C11H15BFNO3
Molecular Weight	239.0511
SMILES	FC1=CC(B(O)O)=CC=C1C(N(CC)CC)=O
Synonyms	874289-14-2, (4-(Diethylcarbamoyl)-3-fluorophenyl)boronic acid, 4-(Diethylcarbamoyl)-3-fluorophenylboronic acid, [4-(diethylcarbamoyl)-3-fluorophenyl]boronic acid, ACMC-209qm7, CTK5F8410, DTXSID30660196, ZX-AP006903, ANW-38765, MFCD08436057, PC3568, SBB099031, AKOS015838585, ZINC169745458, AM87336, RTR-027423, AX8230693, TR-027423, ST24020496, V8462, B-4197, 4-(Diethylcarbamoyl)-3-fluorobenzeneboronic acid, A842182, I04-6362, [4-(diethylcarbamoyl)-3-fluoranyl-phenyl]boronic acid, [4-[diethylamino(oxo)methyl]-3-fluorophenyl]boronic acid, Boronic acid,B-[4-[(diethylamino)carbonyl]-3-fluorophenyl]-, C11H15BFNO3, ACN-042687, (4-(Diethylcarbamoyl)-3-fluorophenyl)boronicacid,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.113g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	239.053g/mol
Monoisotopic Mass	239.113g/mol
Rotatable Bond Count	4
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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