| CAS Number | 1248916-44-0 |
| Catalog Number | AG000MUW(AGN-PC-0EKBBF) |
| Chemical Name | 6-fluoro-1-methyl-1H-1,3-benzodiazol-2-amine |
| IUPAC Name | 6-fluoro-1-methylbenzimidazol-2-amine |
| InChI | InChI=1S/C8H8FN3/c1-12-7-4-5(9)2-3-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11) |
| InChI Key | NVRHVHDCZDMSQE-UHFFFAOYSA-N |
| MDL Number | MFCD16841034 |
| Molecular Formula | C8H8FN3 |
| Molecular Weight | 165.1676 |
| SMILES | CN1C2=C(C=CC(=C2)F)N=C1N |
| Synonyms | 2-Amino-6-fluoro-1-methylbenzimidazole,
1248916-44-0,
6-fluoro-1-methyl-1H-1,3-benzodiazol-2-amine,
ZINC52122753,
AKOS011664048,
NE31350,
SY027893,
MFCD16841034 (95%),
1H-Benzimidazol-2-amine, 6-fluoro-1-methyl-,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.171g/mol |
| Monoisotopic Mass | 165.07g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number