| CAS Number | 159020-76-5 |
| Catalog Number | AG001QF2(AGN-PC-07A9YM) |
| Chemical Name | Benzonitrile, 2-amino-4-fluoro-6-methyl- |
| IUPAC Name | 2-amino-4-fluoro-6-methylbenzonitrile |
| InChI | InChI=1S/C8H7FN2/c1-5-2-6(9)3-8(11)7(5)4-10/h2-3H,11H2,1H3 |
| InChI Key | LPXQZUBTGRJMLH-UHFFFAOYSA-N |
| MDL Number | MFCD18826247 |
| Molecular Formula | C8H7FN2 |
| Molecular Weight | 150.1530 |
| SMILES | CC1=CC(=CC(=C1C#N)N)F |
| Synonyms | 2-amino-4-fluoro-6-methylbenzonitrile,
159020-76-5,
2-amino-4-fluoro-6-methyl-benzonitrile,
SCHEMBL3298610,
CTK8E3673,
LPXQZUBTGRJMLH-UHFFFAOYSA-N,
MFCD18826247,
ZINC39048492,
AKOS016035820,
AS-49502,
Benzonitrile, 2-amino-4-fluoro-6-methyl-,
TX-013524,
Benzonitrile, 2-amino-4-fluoro-6-methyl- (9CI),
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.156g/mol |
| Monoisotopic Mass | 150.059g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number