Organofluorine / Alfa Chemistry
5,6-Difluoro-1H-benzo[d]imidazol-2(3H)-one

5,6-Difluoro-1H-benzo[d]imidazol-2(3H)-one

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5,6-Difluoro-1H-benzo[d]imidazol-2(3H)-one
Catalog OFC176244216
CAS 176244-21-6
Category Fluorinated Benzimidazoles
Synonyms 5,6-difluoro-2,3-dihydro-1H-1,3-benzodiazol-2-one
Purity 97%
MDL Number MFCD09802101
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 5,6-difluoro-1,3-dihydrobenzimidazol-2-one
InChI InChI=1S/C7H4F2N2O/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)
InChI Key FNIZLMLIRWCFRX-UHFFFAOYSA-N
Isomeric SMILES C1=C2C(=CC(=C1F)F)NC(=O)N2
Molecular Formula C7H4F2N2O
Molecular Weight 170.12
Storage Sealed in dry, room temperature
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 170.02916908 g/mol
Monoisotopic Mass 170.02916908 g/mol
Topological Polar Surface Area 41.1Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 192

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