2-(Cyanomethyl)-6-(trifluoromethyl)benzimidazole - CAS 1500844-32-5
Catalog: |
BB010482 |
Product Name: |
2-(Cyanomethyl)-6-(trifluoromethyl)benzimidazole |
CAS: |
1500844-32-5 |
Synonyms: |
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]acetonitrile; 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]acetonitrile |
IUPAC Name: | 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]acetonitrile |
Description: | 2-(Cyanomethyl)-6-(trifluoromethyl)benzimidazole (CAS# 1500844-32-5) is a useful research chemical. |
Molecular Weight: | 225.17 |
Molecular Formula: | C10H6F3N3 |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CC#N |
InChI: | InChI=1S/C10H6F3N3/c11-10(12,13)6-1-2-7-8(5-6)16-9(15-7)3-4-14/h1-2,5H,3H2,(H,15,16) |
InChI Key: | IFSWUJHOYKYNBX-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
JP-3522454-B2 | Benzopyran ring condensed compound | 19950627 |
JP-H09138502-A | Benzopyran ring condensation compound | 19950627 |
US-4097484-A | Mixed complexes of methine dyes | 19741017 |
US-4079052-A | Diazopigments containing pyridine derivatives | 19740926 |
CA-1041486-A | Azo colorants | 19740312 |
Complexity: | 306 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.05138169 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.05138169 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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