AG004OT3

871332-69-3 | 4-Chloro-3-(ethylcarbamoyl)phenylboronic acid

AG004OT3

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CAS Number	871332-69-3
Catalog Number	AG004OT3(AGN-PC-0VB29B)
Chemical Name	4-Chloro-3-(ethylcarbamoyl)phenylboronic acid
IUPAC Name	[4-chloro-3-(ethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C9H11BClNO3/c1-2-12-9(13)7-5-6(10(14)15)3-4-8(7)11/h3-5,14-15H,2H2,1H3,(H,12,13)
InChI Key	YMJAUMCTGHBWQK-UHFFFAOYSA-N
MDL Number	MFCD07783861
Molecular Formula	C9H11BClNO3
Molecular Weight	227.4525
SMILES	O=C(C1=CC(B(O)O)=CC=C1Cl)NCC
Synonyms	871332-69-3, (4-Chloro-3-(ethylcarbamoyl)phenyl)boronic acid, 4-Chloro-3-(ethylcarbamoyl)phenylboronic acid, [4-chloro-3-(ethylcarbamoyl)phenyl]boronic acid, ACMC-209qgz, CTK5F7940, DTXSID90661220, ANW-38577, MFCD07783861, AKOS015849983, ZINC169745097, RTR-027241, OR360078, AX8158591, TR-027241, 4-Chloro-3-(ethylcarbamoyl)phenylboronicacid, ST24026271, V8361, 4-Chloro-3-(ethyl carbamoyl)phenylboronic acid, B-4253, I04-2485, Boronic acid,B-[4-chloro-3-[(ethylamino)carbonyl]phenyl]-, C9H11BClNO3, ACN-042641,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.052g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	227.451g/mol
Monoisotopic Mass	227.052g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	69.6A^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

Lot Number