AG004KM6

871332-92-2 | 4-Chloro-3-(cyclohexylaminocarbonyl)phenylboronic acid

AG004KM6

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CAS Number	871332-92-2
Catalog Number	AG004KM6(AGN-PC-0VB2KC)
Chemical Name	4-Chloro-3-(cyclohexylaminocarbonyl)phenylboronic acid
IUPAC Name	[4-chloro-3-(cyclohexylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C13H17BClNO3/c15-12-7-6-9(14(18)19)8-11(12)13(17)16-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H,16,17)
InChI Key	OWOXUFCZVBAXMX-UHFFFAOYSA-N
MDL Number	MFCD07783884
Molecular Formula	C13H17BClNO3
Molecular Weight	281.5430
SMILES	O=C(C1=CC(B(O)O)=CC=C1Cl)NC2CCCCC2
Synonyms	871332-92-2, (4-Chloro-3-(cyclohexylcarbamoyl)phenyl)boronic acid, 4-Chloro-3-(cyclohexylaminocarbonyl)phenylboronic acid, [4-chloro-3-(cyclohexylcarbamoyl)phenyl]boronic acid, ACMC-209qhl, 4-Chloro-3-(cyclohexylcarbamoyl)benzeneboronic acid, CTK5F7961, DTXSID20661233, ANW-38599, AKOS015849954, ZINC169745049, AM87302, RTR-027264, N-Cyclohexyl 5-borono-2-chlorobenzamide, OR360065, AX8231323, TR-027264, ST24020545, V8381, I04-2476, Boronic acid,B-[4-chloro-3-[(cyclohexylamino)carbonyl]phenyl]-, 4-chloro-3-(cyclohexylaminocarbonyl)phenylboronic acid, AldrichCPR, C13H17BClNO3, 4-CHLORO-3- PHENYLBORONICACID, ACN-042626, B-4400, (4-Chloro-3-(cyclohexylcarbamoyl)phenyl)boronicacid,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.099g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	281.543g/mol
Monoisotopic Mass	281.099g/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	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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