AG0036X3

656235-44-8 | 2-cyano-6-fluorophenylboronic acid

AG0036X3

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CAS Number	656235-44-8
Catalog Number	AG0036X3(AGN-PC-0NHUI5)
Chemical Name	2-cyano-6-fluorophenylboronic acid
IUPAC Name	(2-cyano-6-fluorophenyl)boronic acid
InChI	InChI=1S/C7H5BFNO2/c9-6-3-1-2-5(4-10)7(6)8(11)12/h1-3,11-12H
InChI Key	PPLSIVNRHUSMMC-UHFFFAOYSA-N
MDL Number	MFCD09033623
Molecular Formula	C7H5BFNO2
Molecular Weight	164.9295
SMILES	C(#N)C1=C(C(=CC=C1)F)B(O)O
Synonyms	656235-44-8, (2-cyano-6-fluorophenyl)boronic acid, 2-cyano-6-fluorophenylboronic acid, Boronic acid, (2-cyano-6-fluorophenyl)-, AK-85470, ACMC-209nrh, SCHEMBL1668130, CTK1J6227, DTXSID80477892, KS-00000RD5, ANW-35067, FCH864650, MFCD09033623, AKOS006330761, ZINC169747333, AB49390, DS-18085, PC412336, SY031660, AX8250404, ST2402202, TR-022304, 4CH-017443, CS-0029541, X0925, MFCD09033623 (97%), Z-2853, C7H5BFNO2, ACN-046542, Boronic acid, (2-cyano-6-fluorophenyl)- (9CI),

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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