| CAS Number | 211374-80-0 |
| Catalog Number | AG01AUCW(AGN-PC-013OWD) |
| Chemical Name | 2-Amino-4,5-difluorobenzamide |
| IUPAC Name | 2-amino-4,5-difluorobenzamide |
| InChI | InChI=1S/C7H6F2N2O/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H2,11,12) |
| InChI Key | JFMDZCSBKULXCB-UHFFFAOYSA-N |
| MDL Number | MFCD08696319 |
| Molecular Formula | C7H6F2N2O |
| Molecular Weight | 172.1321 |
| SMILES | NC1=C(C(=O)N)C=C(C(=C1)F)F |
| Synonyms | 2-amino-4,5-difluorobenzamide,
211374-80-0,
SCHEMBL1203088,
JFMDZCSBKULXCB-UHFFFAOYSA-N,
Benzamide, 2-amino-4,5-difluoro-,
ZINC39297354,
AKOS000282584,
Z2235386906,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.135g/mol |
| Monoisotopic Mass | 172.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number