AG004PC7

850568-05-7 | 2-Methoxycarbonyl-5-fluorophenylboronic acid

AG004PC7

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CAS Number	850568-05-7
Catalog Number	AG004PC7(AGN-PC-09RUC4)
Chemical Name	2-Methoxycarbonyl-5-fluorophenylboronic acid
IUPAC Name	(5-fluoro-2-methoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C8H8BFO4/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,12-13H,1H3
InChI Key	CHDCMVDJRAQCTJ-UHFFFAOYSA-N
MDL Number	MFCD03095367
Molecular Formula	C8H8BFO4
Molecular Weight	197.9561
SMILES	OB(C1=CC(F)=CC=C1C(OC)=O)O
Synonyms	850568-05-7, 2-Methoxycarbonyl-5-fluorophenylboronic acid, 5-Fluoro-2-methoxycarbonylphenylboronic acid, (5-fluoro-2-methoxycarbonylphenyl)boronic acid, 5-FLUORO-2-METHOXYCARBOXYPHENYLBORONIC ACID, 5-fluoro-2-(methoxycarbonyl)phenylboronic acid, MFCD03095367, METHYL 2-BORONO-4-FLUOROBENZOATE, 5-Fluoro-2-(methoxycarbonyl)benzeneboronic acid, (5-Fluoro-2-(methoxycarbonyl)phenyl)boronic acid, Benzoic acid,2-borono-4-fluoro-, 1-methyl ester, [5-fluoro-2-(methoxycarbonyl)phenyl]boronic acid, akos brn-0797, AC1NAAQO, (5-fluoro-2-methoxycarbonyl-phenyl)boronic Acid, ACMC-209q15, SCHEMBL1743546, CTK5F3937, DTXSID20402567, CHDCMVDJRAQCTJ-UHFFFAOYSA-N, BM571, ACT11083, ZX-AP006771, ANW-38007, CM-958, FCH920998, PC1662, SBB092228, AKOS004113828, ZINC169745524, AB13721, FS-4990, VB10478, CC-00799, AX8006259, DB-010467, ST2404469, TC-126752, TR-026470, FT-0644929, X2399, (5-fluoro-2-methoxycarbonyl)benzeneboronic acid, 2-(methoxycarbonyl)-5-fluorophenylboronic acid, B-4173, benzoic acid, 2-borono-4-fluoro-, methyl ester, 5-fluoro-2-(methoxycarbonyl)benzeneboronicacid96%, C-09147, N-BOC -5-(Diethoxymethyl)pyrrole-2-boronic acid, 5 - Fluoro - 2 - methoxycarbonylphenylboronic acid, 5-fluoro-2-(methoxycarbonyl)benzeneboronic acid 96%, C8H8BFO4, ACN-032577, CID4374269,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.05g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	197.956g/mol
Monoisotopic Mass	198.05g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^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

Lot Number