| CAS Number | 639858-50-7 |
| Catalog Number | AG00EE11(AGN-PC-04Y1EK) |
| Chemical Name | 3-amino-4-fluoro-N-methylbenzamide |
| IUPAC Name | 3-amino-4-fluoro-N-methylbenzamide |
| InChI | InChI=1S/C8H9FN2O/c1-11-8(12)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3,(H,11,12) |
| InChI Key | QHANKIGJOCDPNG-UHFFFAOYSA-N |
| MDL Number | MFCD11505337 |
| Molecular Formula | C8H9FN2O |
| Molecular Weight | 168.1683 |
| SMILES | C(NC)(=O)C1C=CC(=C(N)C=1)F |
| Synonyms | 3-amino-4-fluoro-N-methylbenzamide,
639858-50-7,
SCHEMBL2296845,
CTK5C0391,
DTXSID40649432,
BBL031939,
MFCD11505337,
STK498036,
ZINC21953393,
3-Amino-4-fluoro-N-methyl-benzamide,
AKOS000283208,
Benzamide,3-amino-4-fluoro-N-methyl-,
MCULE-3376756395,
AJ-78772,
BB 0243033,
3-amino-4-fluoro-N-methylbenzamide(SALTDATA,
Y-6783,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.171g/mol |
| Monoisotopic Mass | 168.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number