2-Chloro-4-fluorobenzimidazole - CAS 256519-11-6

Catalog:	BB018993
Product Name:	2-Chloro-4-fluorobenzimidazole
CAS:	256519-11-6
Synonyms:	2-chloro-4-fluoro-1H-benzimidazole; 2-chloro-4-fluoro-1H-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-4-fluoro-1H-benzimidazole
Description:	2-Chloro-4-fluorobenzimidazole (CAS# 256519-11-6) is a useful research chemical.
Molecular Weight:	170.57
Molecular Formula:	C7H4ClFN2
Canonical SMILES:	C1=CC2=C(C(=C1)F)N=C(N2)Cl
InChI:	InChI=1S/C7H4ClFN2/c8-7-10-5-3-1-2-4(9)6(5)11-7/h1-3H,(H,10,11)
InChI Key:	ZFSLVIPTTSYCLG-UHFFFAOYSA-N
Boiling Point:	332.888 °C at 760 mmHg
Density:	1.533 g/cm³
LogP:	2.35540

Publication Number	Title	Priority Date
WO-2021193756-A1	Novel benzimidazole derivative	20200325
EP-3013333-A1	Heterocyclic compounds and methods of use thereof for the treatment of hepatitis c	20130624
EP-3013333-B1	Heterocyclic compounds and methods of use thereof for the treatment of hepatitis c	20130624
US-2016143895-A1	Heterocyclic compounds and methods of use thereof for the treatment of hepatitis c	20130624
US-9549921-B2	Heterocyclic compounds and methods of use thereof for the treatment of hepatitis C	20130624

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:	170.0047040
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.0047040
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5