| CAS Number | 247071-37-0 |
| Catalog Number | AG00BJ7G(AGN-PC-01XCDP) |
| Chemical Name | 4-Amino-5-fluoro-2-methoxybenzonitrile |
| IUPAC Name | 4-amino-5-fluoro-2-methoxybenzonitrile |
| InChI | InChI=1S/C8H7FN2O/c1-12-8-3-7(11)6(9)2-5(8)4-10/h2-3H,11H2,1H3 |
| InChI Key | NTDRONIICFXXIB-UHFFFAOYSA-N |
| MDL Number | MFCD20696930 |
| Molecular Formula | C8H7FN2O |
| Molecular Weight | 166.1524 |
| SMILES | N#CC1=CC(F)=C(N)C=C1OC |
| Synonyms | 4-amino-5-fluoro-2-methoxybenzonitrile,
4-Amino-5-fluoro-2-methoxy-benzonitrile,
247071-37-0,
SCHEMBL2596435,
NTDRONIICFXXIB-UHFFFAOYSA-N,
MFCD20696930,
ZINC81199537,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.155g/mol |
| Monoisotopic Mass | 166.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number