Catalog | OFC891831553-2 |
CAS | 891831-55-3 |
Category | Fluorinated Benzimidazoles |
Synonyms | 2-(difluoromethyl)-1H-1,3-benzodiazol-5-amine |
MDL Number | MFCD11193511 |
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IUPAC Name | 2-(difluoromethyl)-3H-benzimidazol-5-amine |
InChI | InChI=1S/C8H7F2N3/c9-7(10)8-12-5-2-1-4(11)3-6(5)13-8/h1-3,7H,11H2,(H,12,13) |
InChI Key | UTJQNINOXMUSDN-UHFFFAOYSA-N |
Isomeric SMILES | C1=CC2=C(C=C1N)NC(=N2)C(F)F |
Molecular Formula | C8H7F2N3 |
Molecular Weight | 183.16 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 183.06080356 g/mol |
Monoisotopic Mass | 183.06080356 g/mol |
Topological Polar Surface Area | 54.7Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 188 |
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