| CAS Number | 851462-21-0 |
| Catalog Number | AG01A18S(AGN-PC-0FID6Q) |
| Chemical Name | 2',6'-Difluoro-[1,1'-biphenyl]-3-amine |
| IUPAC Name | 3-(2,6-difluorophenyl)aniline |
| InChI | InChI=1S/C12H9F2N/c13-10-5-2-6-11(14)12(10)8-3-1-4-9(15)7-8/h1-7H,15H2 |
| InChI Key | XFVXSZWXTXUFDF-UHFFFAOYSA-N |
| MDL Number | MFCD19637699 |
| Molecular Formula | C12H9F2N |
| Molecular Weight | 205.2034 |
| SMILES | FC1=CC=CC(F)=C1C2=CC(N)=CC=C2 |
| Synonyms | 3-(2,6-difluorophenyl)aniline,
851462-21-0,
[1,1'-Biphenyl]-3-amine, 2',6'-difluoro-,
SCHEMBL6509046,
ZINC69758757,
AKOS013353770,
MCULE-2234007181,
NE49754,
2',6'-difluoro-[1,1'-biphenyl]-3-amine,
Z1456202715,
|
| Complexity | 200 |
| 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
Lot Number