1-Methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one - CAS 79759-90-3
Catalog: |
BB076166 |
Product Name: |
1-Methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one |
CAS: |
79759-90-3 |
Synonyms: |
1-Methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one; 1-Methyl-5-(trifluoromethyl)-1,3-dihydro-2H-benzo[d]imidazol-2-one; 3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one |
IUPAC Name: | 3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one |
Description: | 1-Methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one |
Molecular Weight: | 216.16 |
Molecular Formula: | C9H7F3N2O |
Canonical SMILES: | CN1C2=C(C=C(C=C2)C(F)(F)F)NC1=O |
InChI: | InChI=1S/C9H7F3N2O/c1-14-7-3-2-5(9(10,11)12)4-6(7)13-8(14)15/h2-4H,1H3,(H,13,15) |
InChI Key: | MBIIQZYKXCFYLI-UHFFFAOYSA-N |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.05104734 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.05104734 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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