AG004OT5

871332-64-8 | 3-Fluoro-5-(diethylcarbamoyl)phenylboronic acid

AG004OT5

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CAS Number	871332-64-8
Catalog Number	AG004OT5(AGN-PC-0VB26X)
Chemical Name	3-Fluoro-5-(diethylcarbamoyl)phenylboronic acid
IUPAC Name	[3-(diethylcarbamoyl)-5-fluorophenyl]boronic acid
InChI	InChI=1S/C11H15BFNO3/c1-3-14(4-2)11(15)8-5-9(12(16)17)7-10(13)6-8/h5-7,16-17H,3-4H2,1-2H3
InChI Key	PWFQDNPXVAYCOK-UHFFFAOYSA-N
MDL Number	MFCD07363794
Molecular Formula	C11H15BFNO3
Molecular Weight	239.0511
SMILES	c1(cc(cc(c1)B(O)O)F)C(=O)N(CC)CC
Synonyms	871332-64-8, (3-(Diethylcarbamoyl)-5-fluorophenyl)boronic acid, 3-Fluoro-5-(diethylcarbamoyl)phenylboronic acid, 3-(diethylcarbamoyl)-5-fluorophenylboronic acid, [3-(diethylcarbamoyl)-5-fluorophenyl]boronic acid, ACMC-209qgu, CTK5F7935, DTXSID00661216, ANW-38572, AKOS015853070, ZINC169745065, AB30785, AM87292, BC001684, PC412103, DIETHYL 3-BORONO-5-FLUOROBENZAMIDE, AX8158586, TR-027236, ST24034265, X1414, B-4514, 3-Fluoro-5-(diethyl carbamoyl)phenylboronic acid, I04-2849, 3-fluoro-5-(diethylcarbamoyl)phenylboronic acid, AldrichCPR, Boronic acid,B-[3-[(diethylamino)carbonyl]-5-fluorophenyl]-, C11H15BFNO3, 3-FLUORO-5- PHENYLBORONICACID, ACN-042735, 3-FLUORO-5-(DIETHYLCARBAMOYL)BENZENEBORONIC ACID,

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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