AG002DX6

1897-53-6 | 1,4-Benzenedicarbonitrile, 2-fluoro-

AG002DX6

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CAS Number	1897-53-6
Catalog Number	AG002DX6(AGN-PC-0JLNDF)
Chemical Name	1,4-Benzenedicarbonitrile, 2-fluoro-
IUPAC Name	2-fluorobenzene-1,4-dicarbonitrile
InChI	InChI=1S/C8H3FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H
InChI Key	DULBJBXBNLVFBI-UHFFFAOYSA-N
MDL Number	MFCD01657004
Molecular Formula	C8H3FN2
Molecular Weight	146.1212
SMILES	N#CC1=CC=C(C#N)C=C1F
Synonyms	2-Fluoroterephthalonitrile, 1897-53-6, 1,4-Benzenedicarbonitrile, 2-fluoro-, 2-Fluoro-1,4-benzenedicarbonitrile, 2-fluorobenzene-1,4-dicarbonitrile, 3-Fluoroterephthalonitrile, Terephthalonitrile, fluoro-, AK-28089, 2-fluoro-terephthalonitrile, AC1L3SB7, AC1Q4RD0, SCHEMBL1797379, CHEMBL3248226, CTK0H9944, KS-00000HEU, DTXSID10172388, DULBJBXBNLVFBI-UHFFFAOYSA-N, ZINC6091821, 4-CYANO-2-FLUOROBENZONITRILE, 4-CYANO-3-FLUOROBENZONITRILE, 9882AA, ANW-69417, FCH843737, MFCD01657004, AKOS006278991, ACM1897536, AS05861, CM13111, RP21036, AJ-55721, LS-29691, AX8158355, TC-158162, CS-0054302, FT-0645964, J-509529, C8H3FN2, C8-H3-F-N2, AR-1E1809, CID121194, CS-4120, 1936-50-1,

Complexity	231
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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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