3-Fluoro-5-iodobenzonitrile - CAS 723294-75-5

Catalog:	BB034604
Product Name:	3-Fluoro-5-iodobenzonitrile
CAS:	723294-75-5
Synonyms:	3-fluoro-5-iodobenzonitrile; 3-fluoro-5-iodobenzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-fluoro-5-iodobenzonitrile
Description:	3-Fluoro-5-iodobenzonitrile (CAS# 723294-75-5) is a useful research chemical.
Molecular Weight:	247.01
Molecular Formula:	C7H3FIN
Canonical SMILES:	C1=C(C=C(C=C1F)I)C#N
InChI:	InChI=1S/C7H3FIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChI Key:	FCJNITIJYWQFCM-UHFFFAOYSA-N
Boiling Point:	250.5 °C at 760 mmHg
Density:	1.98 g/cm³
MDL:	MFCD04116468
LogP:	2.30198

Publication Number	Title	Priority Date
WO-2020108720-A1	Novel tetrazine compounds for in vivo imaging	20181130
EP-3887359-A1	Novel tetrazine compounds for in vivo imaging	20181130
AU-2018293752-A1	Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors	20170629
CA-3066193-A1	Heterocyclylmethylidene derivatives and their use as modulators of mglur5 receptors	20170629
CN-111094269-A	Heterocyclylmethylene derivatives and their use as mGluR5 receptor modulators	20170629

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Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.92942
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.92942
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4