5-Bromo-1-methyl-3H-1,3-benzodiazol-2-one - CAS 84712-08-3
Catalog: |
BB055378 |
Product Name: |
5-Bromo-1-methyl-3H-1,3-benzodiazol-2-one |
CAS: |
84712-08-3 |
Synonyms: |
5-Bromo-1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-one; 5-bromo-1-methyl-1H-benzo[d]imidazol-2(3H)-one; 6-bromo-3-methyl-1H-benzimidazol-2-one; 5-Bromo-1-methyl-3H-1,3-benzodiazol-2-one; 5-bromo-1-methyl-1,3-dihydro-2H-benzimidazol-2-one |
IUPAC Name: | 6-bromo-3-methyl-1H-benzimidazol-2-one |
Description: | 5-Bromo-1-methyl-3H-1,3-benzodiazol-2-one |
Molecular Weight: | 227.06 |
Molecular Formula: | C8H7BrN2O |
Canonical SMILES: | CN1C2=C(C=C(C=C2)Br)NC1=O |
InChI: | InChI=1S/C8H7BrN2O/c1-11-7-3-2-5(9)4-6(7)10-8(11)12/h2-4H,1H3,(H,10,12) |
InChI Key: | YNULJBICDDCLTN-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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.97418 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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