| CAS Number | 1343038-33-4 |
| Catalog Number | AG00HTAB(AGN-PC-0WNOAB) |
| Chemical Name | 4-Chloro-2-fluoro-N-methylbenzamide |
| IUPAC Name | 4-chloro-2-fluoro-N-methylbenzamide |
| InChI | InChI=1S/C8H7ClFNO/c1-11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,1H3,(H,11,12) |
| InChI Key | TVLUSSIPJPELLT-UHFFFAOYSA-N |
| MDL Number | MFCD19596644 |
| Molecular Formula | C8H7ClFNO |
| Molecular Weight | 187.5987 |
| SMILES | ClC1=CC(=C(C(=O)NC)C=C1)F |
| Synonyms | 4-chloro-2-fluoro-N-methylbenzamide,
1343038-33-4,
SCHEMBL14903858,
ZINC70187162,
AKOS009114616,
MCULE-6622740439,
A1-03660,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.598g/mol |
| Monoisotopic Mass | 187.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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