| CAS Number | 1427381-07-4 |
| Catalog Number | AG01A42M |
| Chemical Name | 3-amino-5-fluoro-2-methylbenzoic acid hydrochloride |
| IUPAC Name | 3-amino-5-fluoro-2-methylbenzoic acid;hydrochloride |
| InChI | InChI=1S/C8H8FNO2.ClH/c1-4-6(8(11)12)2-5(9)3-7(4)10;/h2-3H,10H2,1H3,(H,11,12);1H |
| InChI Key | WCLGOFRCKSDYIH-UHFFFAOYSA-N |
| MDL Number | MFCD23144205 |
| Molecular Formula | C8H9ClFNO2 |
| Molecular Weight | 205.6140 |
| SMILES | Cl.CC1=C(C(O)=O)C=C(F)C=C1N |
| Synonyms | 3-amino-5-fluoro-2-methylbenzoic acid hydrochloride,
1427381-07-4,
AKOS030715395,
MCULE-6095514796,
NE58834,
Z1696822297,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.613g/mol |
| Monoisotopic Mass | 205.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number