4-Fluoroimidazole - CAS 30086-17-0

Catalog:	BB020444
Product Name:	4-Fluoroimidazole
CAS:	30086-17-0
Synonyms:	5-fluoro-1H-imidazole; 5-fluoro-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	5-fluoro-1H-imidazole
Description:	4-Fluoroimidazole (CAS# 30086-17-0) is an antiviral agent and inhibitor of polynucleotide biosynthesis.
Molecular Weight:	86.07
Molecular Formula:	C3H3FN2
Canonical SMILES:	C1=C(NC=N1)F
InChI:	InChI=1S/C3H3FN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChI Key:	HWUPTWDARIVICI-UHFFFAOYSA-N
Boiling Point:	261 °C at 760 mmHg
Density:	1.32 g/cm³
Appearance:	White-very pale yellow crystal powder
MDL:	MFCD09835574
LogP:	0.54880

Publication Number	Title	Priority Date
US-2021284805-A1	Design of ligand attachment chemistry for high conductivity polymer electrolytes	20200303
WO-2021178573-A1	Design of ligand attachment chemistry for high conductivity polymer electrolytes	20200303
WO-2021123785-A1	Dna polymerase theta inhibitors	20191217
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2020168939-A1	Heterocyclic compound, pharmaceutical composition comprising same, preparation method therefor, and use thereof	20190219

PMID	Publication Date	Title	Journal
16776534	20060623	Regio- and stereoselective glycosylation: synthesis of 5-haloimidazole alpha-ribonucleosides	The Journal of organic chemistry
16482346	20060307	The enzymatic activation of coenzyme B12	Dalton transactions (Cambridge, England : 2003)

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	86.02802627
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	86.02802627
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5