AG004SI6

850568-27-3 | (4-((4-FLUOROPHENYL)CARBAMOYL)PHENYL)BORONIC ACID

AG004SI6

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CAS Number	850568-27-3
Catalog Number	AG004SI6(AGN-PC-0UX3KW)
Chemical Name	(4-((4-FLUOROPHENYL)CARBAMOYL)PHENYL)BORONIC ACID
IUPAC Name	[4-[(4-fluorophenyl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C13H11BFNO3/c15-11-5-7-12(8-6-11)16-13(17)9-1-3-10(4-2-9)14(18)19/h1-8,18-19H,(H,16,17)
InChI Key	HIHZUEQBMMAFSA-UHFFFAOYSA-N
MDL Number	MFCD06659878
Molecular Formula	C13H11BFNO3
Molecular Weight	259.0407
SMILES	O=C(NC1=CC=C(F)C=C1)C2=CC=C(B(O)O)C=C2
Synonyms	850568-27-3, (4-((4-Fluorophenyl)carbamoyl)phenyl)boronic acid, 4-(4-Fluorophenyl)aminocarbonylphenylboronic acid, 4-[(4-Fluorophenyl)aminocarbonyl]benzeneboronic acid, {4-[(4-Fluorophenyl)carbamoyl]phenyl}boronic acid, [4-[(4-fluorophenyl)carbamoyl]phenyl]boronic acid, ACMC-209q1p, AMTB362, SCHEMBL4773188, CTK5F3956, DTXSID70660110, ANW-38027, MFCD06659878, SBB102110, AKOS015853506, ZINC169745478, AB26536, AM87249, RTR-026489, AS-55276, TR-026489, B-5619, 4-[(4-fluorophenyl)carbamoyl]phenylboronic acid, A841110, I04-2868, [4-[(4-fluoroanilino)-oxomethyl]phenyl]boronic acid, [4-[[(4-fluorophenyl)amino]-carbonyl]phenyl]boronic acid, Boronic acid,B-[4-[[(4-fluorophenyl)amino]carbonyl]phenyl]-, C13H11BFNO3, ACN-042768, (4-((4-Fluorophenyl)carbamoyl)phenyl)boronicacid, 4-(4-FLUOROPHENYLCARBAMOYL)BENZENEBORONIC ACID,

Complexity	300
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

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