Catalog | OFC1053656204 |
CAS | 1053656-20-4 |
Category | Fluorinated Benzimidazoles |
MDL Number | MFCD10568201 |
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IUPAC Name | 2-(5,6-difluoro-1H-benzimidazol-2-yl)ethanamine |
InChI | InChI=1S/C9H9F2N3/c10-5-3-7-8(4-6(5)11)14-9(13-7)1-2-12/h3-4H,1-2,12H2,(H,13,14) |
InChI Key | YQCIBXFRZZFWPY-UHFFFAOYSA-N |
Isomeric SMILES | C1=C2C(=CC(=C1F)F)N=C(N2)CCN |
Molecular Formula | C9H9F2N3 |
Molecular Weight | 197.18 |
XLogP3-AA | 1 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 2 |
Exact Mass | 197.07645362 g/mol |
Monoisotopic Mass | 197.07645362 g/mol |
Topological Polar Surface Area | 54.7Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 203 |
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