2,5-Dibromo-4-methylimidazole - CAS 219814-29-6

Catalog:	BB017237
Product Name:	2,5-Dibromo-4-methylimidazole
CAS:	219814-29-6
Synonyms:	2,4-dibromo-5-methyl-1H-imidazole; 2,4-dibromo-5-methyl-1H-imidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	2,4-dibromo-5-methyl-1H-imidazole
Description:	2,5-Dibromo-4-methylimidazole (CAS# 219814-29-6) is a useful research chemical.
Molecular Weight:	239.90
Molecular Formula:	C4H4Br2N2
Canonical SMILES:	CC1=C(N=C(N1)Br)Br
InChI:	InChI=1S/C4H4Br2N2/c1-2-3(5)8-4(6)7-2/h1H3,(H,7,8)
InChI Key:	RWHYUTSGEJYTMQ-UHFFFAOYSA-N
Boiling Point:	343.1 °C at 760 mmHg
Density:	2.188 g/cm³
MDL:	MFCD02179519
LogP:	2.24310

Publication Number	Title	Priority Date
CN-109643752-A	Flexible piezoelectric and ferroelectricity halogenated imidazole crystal	20160412
EP-3443601-A1	Flexible piezoelectric and ferroelectric haloimidazole crystals	20160412
US-2019127331-A1	Flexible piezoelectric and ferroelectric haloimidazole crystals	20160412
WO-2017180721-A1	Flexible piezoelectric and ferroelectric haloimidazole crystals	20160412
US-11091443-B2	Flexible piezoelectric and ferroelectric haloimidazole crystals	20160412

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Complexity:	88.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.87207
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	237.87412
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7