4-Bromo-1,3-dihydro-5-methyl-2H-benzimidazol-2-one - CAS 1388043-57-9
Catalog: |
BB072207 |
Product Name: |
4-Bromo-1,3-dihydro-5-methyl-2H-benzimidazol-2-one |
CAS: |
1388043-57-9 |
Synonyms: |
4-Bromo-5-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one; 4-Bromo-1,3-dihydro-5-methyl-2H-benzimidazol-2-one; 4-bromo-5-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one |
IUPAC Name: | 4-bromo-5-methyl-1,3-dihydrobenzimidazol-2-one |
Molecular Weight: | 227.06 |
Molecular Formula: | C8H7BrN2O |
Canonical SMILES: | CC1=C(C2=C(C=C1)NC(=O)N2)Br |
InChI: | InChI=1S/C8H7BrN2O/c1-4-2-3-5-7(6(4)9)11-8(12)10-5/h2-3H,1H3,(H2,10,11,12) |
InChI Key: | CPMHCYCGMWHVQG-UHFFFAOYSA-N |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.97418 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.97418 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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