AG000FN2

1150114-77-4 | Boronic acid, B-(4-cyano-2-fluorophenyl)-

AG000FN2

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CAS Number	1150114-77-4
Catalog Number	AG000FN2(AGN-PC-078JTX)
Chemical Name	Boronic acid, B-(4-cyano-2-fluorophenyl)-
IUPAC Name	(4-cyano-2-fluorophenyl)boronic acid
InChI	InChI=1S/C7H5BFNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,11-12H
InChI Key	HFAUMAIVCYTVQR-UHFFFAOYSA-N
MDL Number	MFCD07644472
Molecular Formula	C7H5BFNO2
Molecular Weight	164.9295
SMILES	C(#N)C1=CC(=C(C=C1)B(O)O)F
Synonyms	4-Cyano-2-fluorophenylboronic acid, 1150114-77-4, (4-Cyano-2-fluorophenyl)boronic acid, (4-Cyano-2-fluorophenyl) boronic acid, MFCD07644472, Boronic acid, B-(4-cyano-2-fluorophenyl)-, ACMC-2099nb, 4-Borono-3-fluorobenzonitrile, SCHEMBL1289604, CTK4A9056, DTXSID50660653, HFAUMAIVCYTVQR-UHFFFAOYSA-N, 4-cyano-2-fluoro-phenylboronic acid, 4-Cyano-2-fluorobenzeneboronic acid, ANW-16773, SBB087858, AKOS005257717, ZINC169743627, PS-9652, RTX-010987, SY032566, 4-Cyano-2-fluorophenylboronic acid, 97%, CS-0040408, FT-0697352, X1637, MFCD07644472 (97%), 4-Cyano-2-fluorophenylboronic acid, AldrichCPR, A-5080, I04-1853, C7H5BFNO2, ACN-034238,

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-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number