4-Chloro-5-nitrobenzimidazole - CAS 1360891-62-8

Catalog:	BB008282
Product Name:	4-Chloro-5-nitrobenzimidazole
CAS:	1360891-62-8
Synonyms:	4-chloro-5-nitro-1H-benzimidazole; 4-chloro-5-nitro-1H-benzimidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-5-nitro-1H-benzimidazole
Description:	4-Chloro-5-nitrobenzimidazole (CAS# 1360891-62-8) is a useful research chemical.
Molecular Weight:	197.58
Molecular Formula:	C7H4ClN3O2
Canonical SMILES:	C1=CC(=C(C2=C1NC=N2)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C7H4ClN3O2/c8-6-5(11(12)13)2-1-4-7(6)10-3-9-4/h1-3H,(H,9,10)
InChI Key:	IJZUCIHBALRZOK-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2018218965-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
AU-2018218965-B2	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
CA-3049643-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
EP-3580208-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
JP-2020506197-A	Novel heterocyclic compound, production method thereof and pharmaceutical composition containing the same	20170207

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Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.9992041
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.9992041
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9