| CAS Number | 1426136-04-0 |
| Catalog Number | AG009YD0(AGN-PC-0WAL23) |
| Chemical Name | 5-Amino-2-fluoro-4-methylbenzonitrile |
| IUPAC Name | 5-amino-2-fluoro-4-methylbenzonitrile |
| InChI | InChI=1S/C8H7FN2/c1-5-2-7(9)6(4-10)3-8(5)11/h2-3H,11H2,1H3 |
| InChI Key | GPWZGVIWTGDEMY-UHFFFAOYSA-N |
| MDL Number | MFCD28131807 |
| Molecular Formula | C8H7FN2 |
| Molecular Weight | 150.1530 |
| SMILES | N#CC1=CC(N)=C(C)C=C1F |
| Synonyms | 5-amino-2-fluoro-4-methylbenzonitrile,
1426136-04-0,
Benzonitrile, 5-amino-2-fluoro-4-methyl-,
SCHEMBL14738361,
GPWZGVIWTGDEMY-UHFFFAOYSA-N,
MFCD28131807,
AKOS028113637,
ZINC219441169,
AC-28369,
CS-0061249,
Z2756332609,
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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