4-Bromo-6-fluorobenzimidazole - CAS 1245642-98-1

Catalog:	BB005904
Product Name:	4-Bromo-6-fluorobenzimidazole
CAS:	1245642-98-1
Synonyms:	4-bromo-6-fluoro-1H-benzimidazole; 4-bromo-6-fluoro-1H-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-6-fluoro-1H-benzimidazole
Description:	4-Bromo-6-fluorobenzimidazole (CAS# 1245642-98-1) is a useful research chemical.
Molecular Weight:	215.02
Molecular Formula:	C7H4BrFN2
Canonical SMILES:	C1=C(C=C2C(=C1Br)N=CN2)F
InChI:	InChI=1S/C7H4BrFN2/c8-5-1-4(9)2-6-7(5)11-3-10-6/h1-3H,(H,10,11)
InChI Key:	MGODHAPVAQOGMN-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.46450

Publication Number	Title	Priority Date
EP-2913330-A1	Condensed derivatives of imidazole useful as pharmaceuticals	20140227
EP-3110803-A1	Heteroaromatic derivatives and their use as pharmaceuticals	20140227
EP-3110803-B1	Heteroaromatic derivatives and their use as pharmaceuticals	20140227
JP-2017510564-A	Novel heteroaromatic derivatives and their use as pharmaceuticals	20140227
US-10301305-B2	Heteroaromatic derivatives and their use as pharmaceuticals	20140227

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GHS Hazard Statement:	H302 (100%): 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, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.95419
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.95419
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3