AG008GTS

850567-35-0 | (3-((4-FLUOROPHENYL)CARBAMOYL)PHENYL)BORONIC ACID

AG008GTS

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CAS Number	850567-35-0
Catalog Number	AG008GTS(AGN-PC-0WA7F0)
Chemical Name	(3-((4-FLUOROPHENYL)CARBAMOYL)PHENYL)BORONIC ACID
IUPAC Name	[3-[(4-fluorophenyl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C13H11BFNO3/c15-11-4-6-12(7-5-11)16-13(17)9-2-1-3-10(8-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key	CKFWDDBBHPLQCY-UHFFFAOYSA-N
MDL Number	MFCD04115712
Molecular Formula	C13H11BFNO3
Molecular Weight	259.0407
SMILES	O=C(C1=CC(B(O)O)=CC=C1)NC2=CC=C(F)C=C2
Synonyms	850567-35-0, (3-((4-Fluorophenyl)carbamoyl)phenyl)boronic acid, 3-(4-Fluorophenyl)aminocarbonylphenylboronic acid, [3-(4-Fluorophenyl)aminocarbonylphenyl]boronic acid, [3-[(4-fluorophenyl)carbamoyl]phenyl]boronic Acid, 3-[(4-Fluorophenyl)aminocarbonyl]benzeneboronic acid, {3-[(4-fluorophenyl)carbamoyl]phenyl}boronic acid, ACMC-209q0m, AC1MD3A7, SCHEMBL722066, CTK8B2441, DTXSID70382340, CKFWDDBBHPLQCY-UHFFFAOYSA-N, ANW-37988, MFCD04115712, SBB102113, AKOS015853492, ZINC169745027, AB20451, AM87244, RTR-026432, AS-55296, TR-026432, V8034, 3-(4-fluorophenylcarbamoyl)phenylboronic acid, B-5666, 3-[(4-fluorophenyl)carbamoyl]phenylboronic acid, 3-(4-fluorophenyl)aminocarbonyl-phenylboronic acid, A841086, I04-2869, [3-[(4-fluoroanilino)-oxomethyl]phenyl]boronic acid, 3-(4-fluorophenyl)aminocarbonylphenylboronic acid, AldrichCPR, C13H11BFNO3, ACN-042765, CID2782894, 3- AMINOCARBONYLPHENYLBORONICACID, 3-(4-FLUOROPHENYLCARBAMOYL)BENZENEBORONIC ACID, 3-(4-FLUOROPHENYL)AMINOCARBONYLPHENYLBORONICACID,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.082g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	259.043g/mol
Monoisotopic Mass	259.082g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number