| CAS Number | 1345471-96-6 |
| Catalog Number | AG0070DB(AGN-PC-0BGIAR) |
| Chemical Name | 4-(3-Chloro-5-fluorophenyl)aniline |
| IUPAC Name | 4-(3-chloro-5-fluorophenyl)aniline |
| InChI | InChI=1S/C12H9ClFN/c13-10-5-9(6-11(14)7-10)8-1-3-12(15)4-2-8/h1-7H,15H2 |
| InChI Key | FSXLTSAXLFETHZ-UHFFFAOYSA-N |
| MDL Number | MFCD20441857 |
| Molecular Formula | C12H9ClFN |
| Molecular Weight | 221.6580 |
| SMILES | Nc1ccc(cc1)c1cc(F)cc(c1)Cl |
| Synonyms | 4-(3-Chloro-5-fluorophenyl)aniline,
1345471-96-6,
ACMC-209bvt,
CTK8B0252,
DTXSID60718356,
ANW-19671,
MFCD20441857,
ZINC74937779,
AKOS017975658,
CJ-21766,
TC-108416,
Z9797,
B-8456,
3'-Chloro-5'-fluoro[1,1'-biphenyl]-4-amine,
C12H9ClFN,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.659g/mol |
| Monoisotopic Mass | 221.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number