AG008FBE

871332-68-2 | 4-Chloro-3-(N,N-diethylcarbamoyl)phenylboronic acid

AG008FBE

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CAS Number	871332-68-2
Catalog Number	AG008FBE(AGN-PC-0VB28P)
Chemical Name	4-Chloro-3-(N,N-diethylcarbamoyl)phenylboronic acid
IUPAC Name	[4-chloro-3-(diethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C11H15BClNO3/c1-3-14(4-2)11(15)9-7-8(12(16)17)5-6-10(9)13/h5-7,16-17H,3-4H2,1-2H3
InChI Key	JLDCVUGASMQNGS-UHFFFAOYSA-N
MDL Number	MFCD07363797
Molecular Formula	C11H15BClNO3
Molecular Weight	255.5057
SMILES	O=C(N(CC)CC)C1=C(Cl)C=CC(B(O)O)=C1
Synonyms	871332-68-2, (4-Chloro-3-(diethylcarbamoyl)phenyl)boronic acid, 4-Chloro-3-(N,N-diethylcarbamoyl)phenylboronic acid, [4-chloro-3-(diethylcarbamoyl)phenyl]boronic acid, ACMC-209qgy, CTK5F7939, DTXSID80661219, ANW-38576, AKOS015849967, ZINC169745089, AB30790, AM87295, RTR-027240, BC001604, OR360289, AX8158590, TR-027240, ST24034654, X1418, B-4252, N,N-DIETHYL 2-CHLORO-5-BORONOBENZAMIDE, I04-2480, Boronic acid,B-[4-chloro-3-[(diethylamino)carbonyl]phenyl]-, C11H15BClNO3, 4-CHLORO-3- PHENYLBORONICACID, ACN-042630, N,N-DIETHYL 5-BORONO-2-CHLOROBENZAMIDE, 4-CHLORO-3-(DIETHYLCARBAMOYL)BENZENEBORONIC ACID, 4-CHLORO-3-(DIETHYLCARBAMOYL)PHENYLBORONIC ACID,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.083g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	255.505g/mol
Monoisotopic Mass	255.083g/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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