| CAS Number | 1038374-82-1 |
| Catalog Number | AG01A1W8 |
| Chemical Name | 1-N-(2,4-Difluorophenyl)-4-fluorobenzene-1,2-diamine |
| IUPAC Name | 1-N-(2,4-difluorophenyl)-4-fluorobenzene-1,2-diamine |
| InChI | InChI=1S/C12H9F3N2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,17H,16H2 |
| InChI Key | MRSONIDVJWSUHD-UHFFFAOYSA-N |
| MDL Number | MFCD11201979 |
| Molecular Formula | C12H9F3N2 |
| Molecular Weight | 238.2085 |
| SMILES | NC1=C(NC2=C(F)C=C(F)C=C2)C=CC(F)=C1 |
| Synonyms | 1-N-(2,4-difluorophenyl)-4-fluorobenzene-1,2-diamine,
1038374-82-1,
N1-(2,4-difluorophenyl)-4-fluorobenzene-1,2-diamine,
ZINC20585598,
AKOS009280088,
MCULE-3185937956,
NE47173,
Z1492797079,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.213g/mol |
| Monoisotopic Mass | 238.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number