AG00GSYH

874289-44-8 | 5-(Cyclohexylcarbamoyl)-2-fluorophenylboronic acid

AG00GSYH

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CAS Number	874289-44-8
Catalog Number	AG00GSYH(AGN-PC-0VDJD8)
Chemical Name	5-(Cyclohexylcarbamoyl)-2-fluorophenylboronic acid
IUPAC Name	[5-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid
InChI	InChI=1S/C13H17BFNO3/c15-12-7-6-9(8-11(12)14(18)19)13(17)16-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H,16,17)
InChI Key	YASQSGZTGZDSLB-UHFFFAOYSA-N
MDL Number	MFCD08235096
Molecular Formula	C13H17BFNO3
Molecular Weight	265.0884
SMILES	FC1=CC=C(C(NC2CCCCC2)=O)C=C1B(O)O
Synonyms	874289-44-8, (5-(Cyclohexylcarbamoyl)-2-fluorophenyl)boronic acid, 5-(Cyclohexylcarbamoyl)-2-fluorophenylboronic acid, [5-(Cyclohexycarbamoyl)-2-fluorophenyl]boronic acid, 5-(Cyclohexylcarbamoyl)-2-fluorobenzeneboronic acid, [5-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid, ACMC-20aivm, SCHEMBL15574361, DTXSID00660249, ZX-AP006891, ANW-75392, MFCD08235096, PC5106, SBB102884, AKOS015840915, ZINC169743948, RTR-027438, VB10714, AX8014825, TR-027438, FT-0645012, ST24026292, V8472, B-3930, A842194, C-16578, I04-2352, [5-(cyclohexylcarbamoyl)-2-fluoranyl-phenyl]boronic acid, [5-[(cyclohexylamino)-oxomethyl]-2-fluorophenyl]boronic acid, Boronic acid,B-[5-[(cyclohexylamino)carbonyl]-2-fluorophenyl]-, [5-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid, AldrichCPR, C13H17BFNO3, ACN-042672, 5-Cyclohexylcarbamoyl-2-fluorobenzeneboronic acid, (5-(Cyclohexylcarbamoyl)-2-fluorophenyl)boronicacid,

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
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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