| CAS Number | 1357626-46-0 |
| Catalog Number | AG009X6I(AGN-PC-0WA6OE) |
| Chemical Name | 2-Fluoro-4-(1-methylhydrazin-1-yl)benzonitrile |
| IUPAC Name | 4-[amino(methyl)amino]-2-fluorobenzonitrile |
| InChI | InChI=1S/C8H8FN3/c1-12(11)7-3-2-6(5-10)8(9)4-7/h2-4H,11H2,1H3 |
| InChI Key | KLHABESZGJMLSP-UHFFFAOYSA-N |
| MDL Number | MFCD22549309 |
| Molecular Formula | C8H8FN3 |
| Molecular Weight | 165.1676 |
| SMILES | N#Cc1ccc(cc1F)N(N)C |
| Synonyms | 2-Fluoro-4-(1-methylhydrazin-1-yl)benzonitrile,
1357626-46-0,
ZINC95217831,
AKOS026672905,
V2514,
C8H8FN3,
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| Complexity | 198 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.171g/mol |
| Monoisotopic Mass | 165.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number