AG004MVJ

870777-29-0 | 5-acetyl-2-fluorophenylboronic acid

AG004MVJ

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CAS Number	870777-29-0
Catalog Number	AG004MVJ(AGN-PC-0KKPE4)
Chemical Name	5-acetyl-2-fluorophenylboronic acid
IUPAC Name	(5-acetyl-2-fluorophenyl)boronic acid
InChI	InChI=1S/C8H8BFO3/c1-5(11)6-2-3-8(10)7(4-6)9(12)13/h2-4,12-13H,1H3
InChI Key	FQVNUEBNRAIKBR-UHFFFAOYSA-N
MDL Number	MFCD06656263
Molecular Formula	C8H8BFO3
Molecular Weight	181.9567
SMILES	c1(ccc(c(c1)B(O)O)F)C(=O)C
Synonyms	5-Acetyl-2-fluorophenylboronic acid, 870777-29-0, (5-acetyl-2-fluorophenyl)boronic acid, 2-Fluoro-5-acetylphenylboronic acid, C8H8BFO3, 3-Borono-4-fluoroacetophenone, MFCD06656263, J-501533, 5-Acetyl-2-FluorophenylboronicAcid, PubChem5043, (5-acetyl-2-fluoro-phenyl)boronic Acid, ACMC-209qdt, AC1MC80K, SCHEMBL841590, CTK5F7736, DTXSID70376840, FQVNUEBNRAIKBR-UHFFFAOYSA-N, BM606, ZX-AP002085, ANW-38463, CA-601, PC2994, SBB065083, 2-fluoro 5-acetylphenyl boronic acid, AKOS015841048, ZINC169747630, AB25478, FCH1119757, LS11047, RP03255, RP24285, RTC-067966, AK-37502, AN-26902, AS-17774, BC000781, boronic acid, (5-acetyl-2-fluorophenyl)-, AB0020748, AX8008337, Boronic acid,B-(5-acetyl-2-fluorophenyl)-, 4CH-001237, 5 - Acetyl - 2 - fluorophenylboronic acid, 5-ACETYL-2-FLUOROBENZENEBORONIC ACID, CS-0060844, FT-0654473, ST24034793, V1750, A-2643, 777A290, I01-6909, RW1594, ACN-032819, CID2763247, A10365,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.055g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	181.957g/mol
Monoisotopic Mass	182.055g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^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	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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