| CAS Number | 35754-38-2 |
| Catalog Number | AG003AEK(AGN-PC-0WGG3B) |
| Chemical Name | 3,4-Dichloro-5-fluoroaniline |
| IUPAC Name | 3,4-dichloro-5-fluoroaniline |
| InChI | InChI=1S/C6H4Cl2FN/c7-4-1-3(10)2-5(9)6(4)8/h1-2H,10H2 |
| InChI Key | GMTOVSOYXUGZCV-UHFFFAOYSA-N |
| MDL Number | MFCD22376609 |
| Molecular Formula | C6H4Cl2FN |
| Molecular Weight | 180.0071 |
| SMILES | ClC=1C=C(N)C=C(C1Cl)F |
| Synonyms | 3,4-Dichloro-5-fluoroaniline,
35754-38-2,
SCHEMBL17964095,
MFCD22376609,
CS-0061686,
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| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.003g/mol |
| Monoisotopic Mass | 178.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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