AG004OT0

871332-76-2 | 4-Chloro-3-(dimethylaminocarbonyl)phenylboronic acid

AG004OT0

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CAS Number	871332-76-2
Catalog Number	AG004OT0(AGN-PC-0VB2D7)
Chemical Name	4-Chloro-3-(dimethylaminocarbonyl)phenylboronic acid
IUPAC Name	[4-chloro-3-(dimethylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C9H11BClNO3/c1-12(2)9(13)7-5-6(10(14)15)3-4-8(7)11/h3-5,14-15H,1-2H3
InChI Key	ZTPXXLBYJKNIDH-UHFFFAOYSA-N
MDL Number	MFCD07783868
Molecular Formula	C9H11BClNO3
Molecular Weight	227.4525
SMILES	O=C(C1=CC(B(O)O)=CC=C1Cl)N(C)C
Synonyms	871332-76-2, (4-Chloro-3-(dimethylcarbamoyl)phenyl)boronic acid, 4-CHLORO-3-(DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID, [4-chloro-3-(dimethylcarbamoyl)phenyl]boronic acid, AK-93796, AC1Q3VXC, ACMC-209qh6, SCHEMBL14875768, CTK5F7947, DTXSID10661227, KS-00000HG8, ANW-38584, AKOS015849941, ZINC169745369, AM87301, RTR-027248, DS-17881, OR360075, AX8158598, ST2402415, TR-027248, V8367, B-4390, I04-2472, 4-Chloro-3-(Dimethylaminocarbonyl)phenyl-Boronic Acid, Boronic acid,B-[4-chloro-3-[(dimethylamino)carbonyl]phenyl]-, 4-chloro-3-(dimethylaminocarbonyl)phenylboronic acid, AldrichCPR, C9H11BClNO3, 4-CHLORO-3- PHENYLBORONICACID, ACN-042632,

Complexity	237
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	2
Isotope Atom Count	0
Molecular Weight	227.451g/mol
Monoisotopic Mass	227.052g/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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