| CAS Number | 757247-93-1 |
| Catalog Number | AG00GAJQ(AGN-PC-07A9U9) |
| Chemical Name | Benzonitrile, 4-amino-2-fluoro-3-methyl- (9CI) |
| IUPAC Name | 4-amino-2-fluoro-3-methylbenzonitrile |
| InChI | InChI=1S/C8H7FN2/c1-5-7(11)3-2-6(4-10)8(5)9/h2-3H,11H2,1H3 |
| InChI Key | GTAKXKONKSMWLZ-UHFFFAOYSA-N |
| MDL Number | MFCD18826339 |
| Molecular Formula | C8H7FN2 |
| Molecular Weight | 150.1530 |
| SMILES | N#CC1=CC=C(N)C(C)=C1F |
| Synonyms | 4-Amino-2-fluoro-3-methylbenzonitrile,
757247-93-1,
Benzonitrile, 4-amino-2-fluoro-3-methyl- (9CI),
SCHEMBL152108,
GTAKXKONKSMWLZ-UHFFFAOYSA-N,
MFCD18826339,
ZINC95924632,
FCH1004087,
PC501107,
PS-11734,
CS-0061149,
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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 | 1.4 |
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Certificate of Analysis
Lot Number