AG003BSA

871329-62-3 | (3-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid

AG003BSA

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CAS Number	871329-62-3
Catalog Number	AG003BSA(AGN-PC-0786CH)
Chemical Name	(3-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid
IUPAC Name	(3-fluoro-5-methoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C8H8BFO4/c1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h2-4,12-13H,1H3
InChI Key	VKHJVASTGLPBBL-UHFFFAOYSA-N
MDL Number	MFCD07363749
Molecular Formula	C8H8BFO4
Molecular Weight	197.9561
SMILES	COC(=O)C1=CC(=CC(F)=C1)B(O)O
Synonyms	871329-62-3, 3-Fluoro-5-methoxycarbonylphenylboronic acid, (3-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid, (3-fluoro-5-methoxycarbonylphenyl)boronic acid, 3-fluoro-5-(methoxycarbonyl)phenylboronic acid, MFCD07363749, METHYL 3-BORONO-5-FLUOROBENZOATE, AK-62023, (3-Fluoro-5-Methoxycarbonyl)Benzeneboronic Acid, [3-Fluoro-5-(methoxycarbonyl)phenyl]boronic acid, Benzoic acid,3-borono-5-fluoro-, 1-methyl ester (9CI), (3-Fluoro-5-methoxycarbonylphenyl)boronicacid, ACMC-209qg6, KSC657S1F, SCHEMBL14920217, CTK5F7912, KS-00000ARX, DTXSID50660113, VKHJVASTGLPBBL-UHFFFAOYSA-N, ZX-AP011696, ANW-38548, FCH921222, PC1774, SBB092229, AKOS006344213, ZINC169745093, AB30683, TRA0057651, VB10454, AS-31285, BC001686, CC-00559, SY024056, 3-Fluoro-5-methoxycarbonylphenylboronicAcid, AX8006256, DB-017971, TR-027213, CS-0067554, FT-0644978, ST24034389, X1411, 5-Fluoro-2-methoxycarboxy phenyl boronic acid, J3.538.326C, B-4273, MFCD07363749 (95+%), (3-fluoranyl-5-methoxycarbonyl-phenyl)boronic acid, A841989, C-09152, I04-2847, (3-fluoro-5-methoxycarbonylphenyl)boronic acid, AldrichCPR, C8H8BFO4, ACN-042749, 3-Fluoro-5-methoxycarbonylbenzeneboronic acid, 3-Fluoro-5-(methoxycarbonyl)benzeneboronic acid,

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	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

Lot Number