| CAS Number | 405058-02-8 |
| Catalog Number | AG00CLUA(AGN-PC-02ZMDA) |
| Chemical Name | 4-(3-Chloro-4-fluorophenyl)aniline |
| IUPAC Name | 4-(3-chloro-4-fluorophenyl)aniline |
| InChI | InChI=1S/C12H9ClFN/c13-11-7-9(3-6-12(11)14)8-1-4-10(15)5-2-8/h1-7H,15H2 |
| InChI Key | ACUVTXWUIMEPBL-UHFFFAOYSA-N |
| MDL Number | MFCD11931983 |
| Molecular Formula | C12H9ClFN |
| Molecular Weight | 221.6580 |
| SMILES | NC1=CC=C(C=C1)C1=CC(Cl)=C(F)C=C1 |
| Synonyms | 4-(3-Chloro-4-fluorophenyl)aniline,
405058-02-8,
ACMC-209jeu,
CTK8B1640,
DTXSID80609772,
ANW-29428,
MFCD11931983,
ZINC33427803,
3'-Chloro-4'-fluorobiphenyl-4-amine,
AKOS015948424,
MCULE-7558217955,
CJ-18056,
NS-02699,
TC-118173,
V5794,
3'-Chloro-4'-fluoro[1,1'-biphenyl]-4-amine,
3'-CHLORO-4'-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