AG003BQ4

874219-24-6 | 3-(Cyclohexylcarbamoyl)-4-fluorophenylboronic acid

AG003BQ4

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CAS Number	874219-24-6
Catalog Number	AG003BQ4(AGN-PC-0786JX)
Chemical Name	3-(Cyclohexylcarbamoyl)-4-fluorophenylboronic acid
IUPAC Name	[3-(cyclohexylcarbamoyl)-4-fluorophenyl]boronic acid
InChI	InChI=1S/C13H17BFNO3/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	BQJKBHZFHLACBP-UHFFFAOYSA-N
MDL Number	MFCD08235043
Molecular Formula	C13H17BFNO3
Molecular Weight	265.0884
SMILES	FC1=CC=C(B(O)O)C=C1C(NC2CCCCC2)=O
Synonyms	874219-24-6, (3-(Cyclohexylcarbamoyl)-4-fluorophenyl)boronic acid, 3-(Cyclohexylcarbamoyl)-4-fluorophenylboronic acid, [3-(cyclohexylcarbamoyl)-4-fluorophenyl]boronic acid, ACMC-209qkp, DTXSID10660235, ZX-AP005743, ANW-38711, MFCD08235043, PC5032, SBB102881, AKOS015840914, ZINC169745521, AM87315, RTR-027367, TRA0052169, 5-Borono-N-cyclohexyl-2-fluorobenzamide, AX8231485, TR-027367, ST24020333, V8432, B-4406, A842141, 3-(Cyclohexylcarbamoyl)-4-fluorobenzeneboronic acid, I04-2351, [3-(cyclohexylcarbamoyl)-4-fluoranyl-phenyl]boronic acid, [3-[(cyclohexylamino)-oxomethyl]-4-fluorophenyl]boronic acid, 3-(cyclohexylcarbamoyl)-4-fluorobenzeneboronic acid, AldrichCPR, C13H17BFNO3, 3- -4-FLUOROBENZENEBORONICACID, ACN-042669, 4-Fluoro-3-(phenylcarbamoyl)phenylboronic acid, 3-Cyclohexylcarbamoyl-4-fluorobenzeneboronic acid, (3-(Cyclohexylcarbamoyl)-4-fluorophenyl)boronicacid, 874219-33-7,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	265.129g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	265.091g/mol
Monoisotopic Mass	265.129g/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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