| CAS Number | 1214385-47-3 |
| Catalog Number | AG01A6RX |
| Chemical Name | 3-fluoro-4-(3-fluorophenyl)aniline |
| IUPAC Name | 3-fluoro-4-(3-fluorophenyl)aniline |
| InChI | InChI=1S/C12H9F2N/c13-9-3-1-2-8(6-9)11-5-4-10(15)7-12(11)14/h1-7H,15H2 |
| InChI Key | WKBPGHHGGRVFMO-UHFFFAOYSA-N |
| MDL Number | MFCD14699090 |
| Molecular Formula | C12H9F2N |
| Molecular Weight | 205.2034 |
| SMILES | NC1=CC(F)=C(C2=CC(F)=CC=C2)C=C1 |
| Synonyms | 3-fluoro-4-(3-fluorophenyl)aniline,
1214385-47-3,
3',2-difluorobiphenyl-4-amine,
ZINC47204056,
AKOS014771437,
MCULE-7780092879,
NE20087,
2,3'-difluoro-[1,1'-biphenyl]-4-amine,
Z1650167214,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.208g/mol |
| Monoisotopic Mass | 205.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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