AG008H1S

850198-68-4 | (3-Acetyl-4-fluorophenyl)boronic acid

AG008H1S

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CAS Number	850198-68-4
Catalog Number	AG008H1S(AGN-PC-0AC0Z4)
Chemical Name	(3-Acetyl-4-fluorophenyl)boronic acid
IUPAC Name	(3-acetyl-4-fluorophenyl)boronic acid
InChI	InChI=1S/C8H8BFO3/c1-5(11)7-4-6(9(12)13)2-3-8(7)10/h2-4,12-13H,1H3
InChI Key	SLTQXKDHZMXMNR-UHFFFAOYSA-N
MDL Number	MFCD10696641
Molecular Formula	C8H8BFO3
Molecular Weight	181.9567
SMILES	c1(c(ccc(c1)B(O)O)F)C(=O)C
Synonyms	(3-Acetyl-4-fluorophenyl)boronic acid, 850198-68-4, 3-Acetyl-4-fluorophenylboronic acid, ACMC-209pzg, SCHEMBL4847318, CTK8B2439, DTXSID90716582, SLTQXKDHZMXMNR-UHFFFAOYSA-N, ANW-37946, MFCD10696641, AKOS006304109, ZINC169746336, AB57823, AM90136, TC-126691, ST24020348, V8002, A-3652, I04-1977, C8H8BFO3, Boronic acid, B-(3-acetyl-4-fluorophenyl)-,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P260-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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