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5-(Bromomethyl)-1-methyl-2-nitroimidazole

5-(Bromomethyl)-1-methyl-2-nitroimidazole - CAS 231950-42-8

Catalog:	BB017975
Product Name:	5-(Bromomethyl)-1-methyl-2-nitroimidazole
CAS:	231950-42-8
Synonyms:	5-(bromomethyl)-1-methyl-2-nitroimidazole; 5-(bromomethyl)-1-methyl-2-nitroimidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(bromomethyl)-1-methyl-2-nitroimidazole
Description:	5-(Bromomethyl)-1-methyl-2-nitroimidazole (CAS# 231950-42-8 ) is a useful research chemical.
Molecular Weight:	220.02
Molecular Formula:	C5H6BrN3O2
Canonical SMILES:	CN1C(=CN=C1[N+](=O)[O-])CBr
InChI:	InChI=1S/C5H6BrN3O2/c1-8-4(2-6)3-7-5(8)9(10)11/h3H,2H2,1H3
InChI Key:	BQAPMRHAUAEUJV-UHFFFAOYSA-N
LogP:	1.74640

Publication Number	Title	Priority Date
CN-111943906-A	Amidine derivative, preparation method thereof, pharmaceutical composition and application	20190514
AU-2010221818-A1	Prodrug forms of kinase inhibitors and their use in therapy	20090311
CA-2754808-A1	Prodrug forms of kinase inhibitors and their use in therapy	20090311
EP-2406262-A1	Prodrug forms of kinase inhibitors and their use in therapy	20090311
EP-3031807-A1	Prodrug forms of kinase inhibitors and their use in therapy	20090311

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Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.96434
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.96434
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1