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 |
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 |
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 |
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 |
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 |
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Benzimidazoles
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