| CAS Number | 823189-16-8 |
| Catalog Number | AG004ZJF(AGN-PC-036F36) |
| Chemical Name | Benzenamine, 2-chloro-4-fluoro-N-methyl- |
| IUPAC Name | 2-chloro-4-fluoro-N-methylaniline |
| InChI | InChI=1S/C7H7ClFN/c1-10-7-3-2-5(9)4-6(7)8/h2-4,10H,1H3 |
| InChI Key | YVVKDPSCNAOEOK-UHFFFAOYSA-N |
| MDL Number | MFCD11178032 |
| Molecular Formula | C7H7ClFN |
| Molecular Weight | 159.5886 |
| SMILES | ClC1=C(NC)C=CC(=C1)F |
| Synonyms | 2-Chloro-4-fluoro-N-methylaniline,
823189-16-8,
Benzenamine, 2-chloro-4-fluoro-N-methyl-,
MFCD11178032,
SCHEMBL2586234,
CTK3E1047,
DTXSID30611103,
ZINC20359380,
AKOS009048936,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.588g/mol |
| Monoisotopic Mass | 159.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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