AG0030AS

304858-67-1 | Boronic acid, B-(3-cyano-5-fluorophenyl)-

AG0030AS

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CAS Number	304858-67-1
Catalog Number	AG0030AS(AGN-PC-0435JJ)
Chemical Name	Boronic acid, B-(3-cyano-5-fluorophenyl)-
IUPAC Name	(3-cyano-5-fluorophenyl)boronic acid
InChI	InChI=1S/C7H5BFNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3,11-12H
InChI Key	DLYWCECHXBOCAS-UHFFFAOYSA-N
MDL Number	MFCD09263608
Molecular Formula	C7H5BFNO2
Molecular Weight	164.9295
SMILES	C(#N)C=1C=C(C=C(C1)F)B(O)O
Synonyms	3-Cyano-5-Fluorophenylboronic Acid, 304858-67-1, (3-Cyano-5-fluorophenyl)boronic acid, 3-Cyano-5-fluorobenzeneboronic acid, Boronic acid, (3-cyano-5-fluorophenyl)- (9CI), 3-Borono-5-fluorobenzonitrile, BORONIC ACID, (3-CYANO-5-FLUOROPHENYL)-, 3-cyano-5-fluorophenyl boronic acid, PubChem17351, ACMC-1CSDR, KSC495G6D, SCHEMBL874242, CTK3J5361, KS-00000FTO, DTXSID30634059, DLYWCECHXBOCAS-UHFFFAOYSA-N, 5-fluoro-3-cyanophenylboronic acid, 5-fluoro-3-cyanobenzeneboronic acid, ACT11027, 3-Cyano-5-fluoro-phenylboronic acid, ANW-26889, MFCD09263608, 3-cyano-5-fluorobenzene boronic acid, AKOS006281448, ZINC169743458, (3-cyano-5-fluoro-phenyl)boronic acid, AB50203, CC-1306, CS-W001064, PS-9461, RP22756, RTR-013099, AK-25741, AN-28953, BC001837, BC228095, BR-25741, EN001798, SC-26252, 3-Cyano-5-fluorophenylboronic acid, 97%, AB0029135, DB-010573, TR-013099, 4CH-001328, Boronic acid, B-(3-cyano-5-fluorophenyl)-, FT-0084682, FT-0601780, ST24026219, X1267, A-9285, 858C671, J-512358, C7H5BFNO2, ACN-032616,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	164.93g/mol
Monoisotopic Mass	165.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	64.2A^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	P261-P305+P351+P338
UN Code

Certificate of Analysis

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