| CAS Number | 90663-31-3 |
| Catalog Number | AG00H2J2(AGN-PC-00LOYS) |
| Chemical Name | 4-Amino-3-fluoro-N-methylbenzamide |
| IUPAC Name | 4-amino-3-fluoro-N-methylbenzamide |
| InChI | InChI=1S/C8H9FN2O/c1-11-8(12)5-2-3-7(10)6(9)4-5/h2-4H,10H2,1H3,(H,11,12) |
| InChI Key | WZBSQFIZISUXHQ-UHFFFAOYSA-N |
| MDL Number | MFCD14582889 |
| Molecular Formula | C8H9FN2O |
| Molecular Weight | 168.1683 |
| SMILES | NC1=C(C=C(C(=O)NC)C=C1)F |
| Synonyms | 4-amino-3-fluoro-N-methylbenzamide,
90663-31-3,
SCHEMBL355600,
WZBSQFIZISUXHQ-UHFFFAOYSA-N,
MFCD14582889,
ZINC39434789,
AKOS011971483,
Benzamide, 4-amino-3-fluoro-N-methyl-,
AS-44873,
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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 |
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Certificate of Analysis
Lot Number