| CAS Number | 1037206-84-0 |
| Catalog Number | AG0095X3(AGN-PC-0CF2KK) |
| Chemical Name | 2-Amino-4-fluoro-5-methylbenzonitrile |
| IUPAC Name | 2-amino-4-fluoro-5-methylbenzonitrile |
| InChI | InChI=1S/C8H7FN2/c1-5-2-6(4-10)8(11)3-7(5)9/h2-3H,11H2,1H3 |
| InChI Key | YAEPXRRKVAJHHQ-UHFFFAOYSA-N |
| MDL Number | MFCD16658717 |
| Molecular Formula | C8H7FN2 |
| Molecular Weight | 150.1530 |
| SMILES | CC1=CC(=C(C=C1F)N)C#N |
| Synonyms | 2-amino-4-fluoro-5-methylbenzonitrile,
1037206-84-0,
2-Cyano-5-fluoro-4-methylaniline,
2-Amino-4-fluoro-5-methylaniline;2-Amino-4-fluoro-5-methylbenzonitrile,
SCHEMBL404670,
ZINC95080194,
AKOS024261716,
2-Amino-4-fluoro-5-methyl-benzonitrile,
AJ-132045,
CS-0061248,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number