| CAS Number | 1269152-29-5 |
| Catalog Number | AG01AGYX |
| Chemical Name | 5-Amino-2-(difluoromethoxy)benzoic acid hydrochloride |
| IUPAC Name | 5-amino-2-(difluoromethoxy)benzoic acid;hydrochloride |
| InChI | InChI=1S/C8H7F2NO3.ClH/c9-8(10)14-6-2-1-4(11)3-5(6)7(12)13;/h1-3,8H,11H2,(H,12,13);1H |
| InChI Key | CLLJVLCLLWGPKI-UHFFFAOYSA-N |
| MDL Number | MFCD18380721 |
| Molecular Formula | C8H8ClF2NO3 |
| Molecular Weight | 239.6038 |
| SMILES | Cl.NC1=CC(C(O)=O)=C(OC(F)F)C=C1 |
| Synonyms | 5-amino-2-(difluoromethoxy)benzoic acid hydrochloride,
1269152-29-5,
AC1Q3CXV,
AKOS008130457,
MCULE-5184908703,
NE51824,
EN300-73215,
Z1259273256,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.603g/mol |
| Monoisotopic Mass | 239.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number