AG003IM8

453565-55-4 | 5-Fluoroisophthalonitrile

AG003IM8

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CAS Number	453565-55-4
Catalog Number	AG003IM8(AGN-PC-0KL23Q)
Chemical Name	5-Fluoroisophthalonitrile
IUPAC Name	5-fluorobenzene-1,3-dicarbonitrile
InChI	InChI=1S/C8H3FN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H
InChI Key	IJOYGTWYIUJJRU-UHFFFAOYSA-N
MDL Number	MFCD05663831
Molecular Formula	C8H3FN2
Molecular Weight	146.1212
SMILES	N#CC1=CC(F)=CC(C#N)=C1
Synonyms	5-Fluoroisophthalonitrile, 453565-55-4, 3,5-dicyanofluorobenzene, 1,3-dicyano-5-fluorobenzene, 5-fluorobenzene-1,3-dicarbonitrile, 1,3-Benzenedicarbonitrile, 5-fluoro-, 5-fluoroisopthalonitrile, 5-fluoro-1,3-benzenedicarbonitrile, fluoroisophthalonitrile, PubChem4391, AC1MD3QT, 5-Fluoro-isophthalonitrile, KSC493M8N, SCHEMBL1421650, CTK3J3686, 5-FLUORO ISOPHTHALONITRILE, DTXSID80382437, IJOYGTWYIUJJRU-UHFFFAOYSA-N, ZINC153468, ACT12641, KS-00000JE8, ANW-45801, MFCD05663831, RW3562, SBB064434, TD1137, AKOS005071453, AC-9709, AM61999, AN-5985, AS01568, CF-1020, CM13108, CS-W006077, MCULE-9378432501, PF10970, QC-2271, RP09912, RTR-017256, VZ35650, AJ-12999, AK-87615, BC220811, CJ-01261, SY032433, ZB005455, AB0020731, TR-017256, 4CH-000871, A7153, FT-0081774, FT-0651223, ST24029485, V1727, MFCD05663831 (95%), 565F554, 9R-1378, I01-4854, J-517550, C8H3FN2, Diisopropylethylamine trihydrofluoride, ZINC00153468, ACN-050391, CID2783094, M-3255, 108-88-3,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.028g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	146.124g/mol
Monoisotopic Mass	146.028g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number