7-Bromo-1-methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one - CAS 1820665-33-5
Catalog: |
BB071239 |
Product Name: |
7-Bromo-1-methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one |
CAS: |
1820665-33-5 |
Synonyms: |
7-BROMO-1-METHYL-5-(TRIFLUOROMETHYL)-3H-1,3-BENZODIAZOL-2-ONE; 7-Bromo-1-methyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one; 4-bromo-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one |
IUPAC Name: | 4-bromo-3-methyl-6-(trifluoromethyl)-1H-benzimidazol-2-one |
Description: | 7-Bromo-1-methyl-5-(trifluoromethyl)-3H-1,3-benzodiazol-2-one |
Molecular Weight: | 295.06 |
Molecular Formula: | C9H6BrF3N2O |
Canonical SMILES: | CN1C2=C(C=C(C=C2Br)C(F)(F)F)NC1=O |
InChI: | InChI=1S/C9H6BrF3N2O/c1-15-7-5(10)2-4(9(11,12)13)3-6(7)14-8(15)16/h2-3H,1H3,(H,14,16) |
InChI Key: | CCUVJJKLELBSSP-UHFFFAOYSA-N |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.96156 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.96156 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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