| CAS Number | 1096879-61-6 |
| Catalog Number | AG01A3QI |
| Chemical Name | 3-Amino-4-(difluoromethoxy)benzoic acid |
| IUPAC Name | 3-amino-4-(difluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H7F2NO3/c9-8(10)14-6-2-1-4(7(12)13)3-5(6)11/h1-3,8H,11H2,(H,12,13) |
| InChI Key | MGYAZPUZFPMDPX-UHFFFAOYSA-N |
| MDL Number | MFCD12168713 |
| Molecular Formula | C8H7F2NO3 |
| Molecular Weight | 203.1429 |
| SMILES | NC1=C(OC(F)F)C=CC(C(O)=O)=C1 |
| Synonyms | 3-amino-4-(difluoromethoxy)benzoic acid,
1096879-61-6,
SCHEMBL16097840,
MGYAZPUZFPMDPX-UHFFFAOYSA-N,
ZINC37289420,
AKOS009475655,
MCULE-2385683763,
NE53255,
Z1762658189,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.145g/mol |
| Monoisotopic Mass | 203.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number