AG003H9S

850568-04-6 | (2-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid

AG003H9S

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CAS Number	850568-04-6
Catalog Number	AG003H9S(AGN-PC-03X8LN)
Chemical Name	(2-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid
IUPAC Name	(2-fluoro-5-methoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C8H8BFO4/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,12-13H,1H3
InChI Key	MSASJWBQVSRTOE-UHFFFAOYSA-N
MDL Number	MFCD06659868
Molecular Formula	C8H8BFO4
Molecular Weight	197.9561
SMILES	C(=O)(OC)c1cc(B(O)O)c(cc1)F
Synonyms	850568-04-6, 2-Fluoro-5-(methoxycarbonyl)phenylboronic acid, (2-Fluoro-5-(methoxycarbonyl)phenyl)boronic acid, 2-FLUORO-5-METHOXYCARBONYLPHENYLBORONIC ACID, (2-Fluoro-5-methoxycarbonylphenyl)boronic acid, Methyl 3-borono-4-fluorobenzoate, 2-Fluoro-5-(methoxycarbonyl)benzeneboronic acid, AK-26363, [2-fluoro-5-(methoxycarbonyl)phenyl]boronic acid, akos brn-0796, PubChem14278, 2-Fluoro-5-(methoxycarbonyl)phenylboronicacid, SCHEMBL701513, ACMC-209q14, CTK3E7838, DTXSID10629640, MSASJWBQVSRTOE-UHFFFAOYSA-N, BCP26633, ZX-AP000649, ANW-38006, CF-633, FCH921280, MFCD06659868, PC1656, SBB092230, AKOS004113827, ZINC169745589, AB26509, PS-9442, RP25566, RTC-062747, VB10427, TRA-0184203, AN-27020, BC000784, BR-26363, CC-00382, QC-10937, SC-69469, SY024018, AB0029121, AX8006255, DB-017930, ST2414181, TC-062747, 4CH-001305, AM20050084, FT-0644928, X1253, MFCD06659868 (95%), (2-fluoro-5-methoxycarbonyl)benzeneboronic acid, B-4172, (2-fluoro-5-methoxycarbonyl-phenyl)boronic acid, 2-fluoro-5-(methoxycarbonyl)benzeneboronicacid97%, 568F046, C-09148, J-509448, 2-fluoro-5-(methoxycarbonyl)benzeneboronic acid 97%, (2-fluoro-5-methoxycarbonylphenyl)boronic acid, AldrichCPR, C8H8BFO4, 2-Fluoro-5- phenylboronicacid, ACN-034243, -fluoro-5-(methoxycarbonyl)phenylboronic acid, A10198,

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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