AG008FBH

871329-81-6 | (4-Fluoro-2-(methoxycarbonyl)phenyl)boronic acid

AG008FBH

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CAS Number	871329-81-6
Catalog Number	AG008FBH(AGN-PC-0VB2OF)
Chemical Name	(4-Fluoro-2-(methoxycarbonyl)phenyl)boronic acid
IUPAC Name	(4-fluoro-2-methoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C8H8BFO4/c1-14-8(11)6-4-5(10)2-3-7(6)9(12)13/h2-4,12-13H,1H3
InChI Key	OYUDJHNYSVXVNK-UHFFFAOYSA-N
MDL Number	MFCD07363762
Molecular Formula	C8H8BFO4
Molecular Weight	197.9561
SMILES	O=C(C1=CC(F)=CC=C1B(O)O)OC
Synonyms	871329-81-6, (4-Fluoro-2-(methoxycarbonyl)phenyl)boronic acid, 4-Fluoro-2-methoxycarbonylphenylboronic acid, (4-fluoro-2-methoxycarbonylphenyl)boronic acid, 4-Fluoro-2-(methoxycarbonyl)benzeneboronic acid, 4-fluoro-2-(methoxycarbonyl)phenylboronic acid, [4-fluoro-2-(methoxycarbonyl)phenyl]boronic acid, ACMC-209qgo, SCHEMBL458104, ethyl 2-borono-5-fluorobenzoate, CTK5F7930, DTXSID40660142, OYUDJHNYSVXVNK-UHFFFAOYSA-N, ACT11084, ZX-AP006858, ANW-38566, FCH921223, MFCD07363762, PC1615, SBB092231, AKOS005259758, ZINC169743915, AB30711, RTR-027231, VB10468, METHYL 2-BORONO-5-FLUOROBENZOATE, AK-84366, AN-26729, AS-18746, BC001086, CC-00691, AX8006257, DB-018004, ST2414341, TR-027231, FT-0644981, X1257, B-4749, (4-fluoro-2-methoxycarbonyl-phenyl)boronic acid, (4-fluoranyl-2-methoxycarbonyl-phenyl)boronic acid, 329F816, 4-fluoro-2-(methoxycarbonyl)benzeneboronicacid95%, A841993, C-09151, 4-fluoro-2-(methoxycarbonyl)benzeneboronic acid 95%, Benzoic acid,2-borono-5-fluoro-, 1-methyl ester (9CI), C8H8BFO4, ACN-032576, 4-Fluoro-2-methoxycarbonylphenylboronicacid, 2-(ETHOXYCARBONYL)-4-FLUOROPHENYLBORONIC 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	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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