| CAS Number | 1355247-52-7 |
| Catalog Number | AG009X5I(AGN-PC-0WA79M) |
| Chemical Name | 3-(3,5-Difluorophenyl)aniline, HCl |
| IUPAC Name | 3-(3,5-difluorophenyl)aniline;hydrochloride |
| InChI | InChI=1S/C12H9F2N.ClH/c13-10-4-9(5-11(14)7-10)8-2-1-3-12(15)6-8;/h1-7H,15H2;1H |
| InChI Key | VBZHUDOBNZVNKS-UHFFFAOYSA-N |
| MDL Number | MFCD21332984 |
| Molecular Formula | C12H10ClF2N |
| Molecular Weight | 241.6643 |
| SMILES | Nc1cccc(c1)c1cc(F)cc(c1)F.Cl |
| Synonyms | 1355247-52-7,
3-(3,5-Difluorophenyl)aniline, HCl,
3-(3,5-Difluorophenyl)aniline HCl,
3-(3,5-Difluorophenyl)aniline hydrochloride,
C12H9F2N.HCl,
MFCD21332984,
Z9977,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.666g/mol |
| Monoisotopic Mass | 241.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number