| CAS Number | 98404-04-7 |
| Catalog Number | AG00IK2U(AGN-PC-03IA0H) |
| Chemical Name | Benzenamine, 2-chloro-4-fluoro-5-methoxy- |
| IUPAC Name | 2-chloro-4-fluoro-5-methoxyaniline |
| InChI | InChI=1S/C7H7ClFNO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3 |
| InChI Key | MCNJLYHDKCTFSO-UHFFFAOYSA-N |
| MDL Number | MFCD20696563 |
| Molecular Formula | C7H7ClFNO |
| Molecular Weight | 175.5880 |
| SMILES | COc1cc(c(cc1F)Cl)N |
| Synonyms | 2-chloro-4-fluoro-5-methoxyaniline,
98404-04-7,
Benzenamine, 2-chloro-4-fluoro-5-methoxy-,
SCHEMBL5258743,
MCNJLYHDKCTFSO-UHFFFAOYSA-N,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.587g/mol |
| Monoisotopic Mass | 175.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number