2-Chloro-5-fluorobenzimidazole - CAS 108662-49-3

Catalog:	BB002314
Product Name:	2-Chloro-5-fluorobenzimidazole
CAS:	108662-49-3
Synonyms:	2-chloro-6-fluoro-1H-benzimidazole; 2-chloro-6-fluoro-1H-benzimidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-6-fluoro-1H-benzimidazole
Description:	2-Chloro-5-fluorobenzimidazole (CAS# 108662-49-3) is a useful research chemical.
Molecular Weight:	170.57
Molecular Formula:	C7H4ClFN2
Canonical SMILES:	C1=CC2=C(C=C1F)NC(=N2)Cl
InChI:	InChI=1S/C7H4ClFN2/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H,(H,10,11)
InChI Key:	UZIXQYXXJBMILL-UHFFFAOYSA-N
Boiling Point:	332.888 °C at 760 mmHg
Density:	1.533 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.35540

Publication Number	Title	Priority Date
WO-2021193756-A1	Novel benzimidazole derivative	20200325
CN-110467610-A	A kind of substituted pyrimidines compound, preparation method and use	20180510
EP-3440074-A1	Small molecule regulators of steroid receptor coactivators and methods of use thereof	20160408
JP-2019513747-A	Small molecule regulators of steroid receptor coactivators and methods of use thereof	20160408
KR-20180133891-A	Small molecule modulators of steroid receptor agonists and methods for their use	20160408

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Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.004704
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.004704
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7