AG004FYS

874290-69-4 | 4-FLUORO-3-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID

AG004FYS

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CAS Number	874290-69-4
Catalog Number	AG004FYS(AGN-PC-0VDJNO)
Chemical Name	4-FLUORO-3-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID
IUPAC Name	[4-fluoro-3-[methoxy(methyl)carbamoyl]phenyl]boronic acid
InChI	InChI=1S/C9H11BFNO4/c1-12(16-2)9(13)7-5-6(10(14)15)3-4-8(7)11/h3-5,14-15H,1-2H3
InChI Key	WNDRABQWMCWUIO-UHFFFAOYSA-N
MDL Number	MFCD08235106
Molecular Formula	C9H11BFNO4
Molecular Weight	226.9973
SMILES	O=C(C1=CC(B(O)O)=CC=C1F)N(OC)C
Synonyms	874290-69-4, (4-Fluoro-3-(methoxy(methyl)carbamoyl)phenyl)boronic acid, 4-Fluoro-3-[(N-methoxy-N-methyl)carbamoyl]phenylboronic acid, 4-Fluoro-3-[(N-methoxy-N-methyl)carbamoyl]benzeneboronic acid, MFCD08235106, 4-FLUORO-3-[METHOXY(METHYL)AMINOCARBONYL]PHENYLBORONIC ACID, N-Methoxy-N-methyl 5-borono-2-fluorobenzamide, {4-Fluoro-3-[methoxy(methyl)carbamoyl]phenyl}boronic acid, 4-FLUORO-3-(METHOXY(METHYL)CARBAMOYL)PHENYLBORONIC ACID, 4-fluoro-3-[methoxy(methyl)carbamoyl]phenylboronic acid, CTK8B3548, DTXSID60660245, 4-FLUORO-3-[METHOXY(METHYL)CARBAMOYL]BENZENEBORONIC ACID, ZX-AP006887, ANW-42719, PC5093, SBB097074, AKOS015888886, ZINC169745364, RTR-027458, BC001874, TR-027458, ST24034686, Z0959, B-5718, N-Methoxy-N-methyl-5-borono-2-fluorobenzamide, A842212, I01-16278, [4-fluoranyl-3-[methoxy(methyl)carbamoyl]phenyl]boronic acid, [4-fluoro-3-[[methoxy(methyl)amino]-oxomethyl]phenyl]boronic acid, C9H11BFNO4, ACN-042755, [4-fluoro-3-[methoxy(methyl)carbamoyl]phenyl]boronic acid,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.077g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	226.998g/mol
Monoisotopic Mass	227.077g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	70A^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-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

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