| CAS Number | 1249165-13-6 |
| Catalog Number | AG00HHU7(AGN-PC-0WNOOU) |
| Chemical Name | 5,6-Difluoro-1-N-propylbenzene-1,2-diamine |
| IUPAC Name | 3,4-difluoro-2-N-propylbenzene-1,2-diamine |
| InChI | InChI=1S/C9H12F2N2/c1-2-5-13-9-7(12)4-3-6(10)8(9)11/h3-4,13H,2,5,12H2,1H3 |
| InChI Key | XBZUSDFDSSPZRJ-UHFFFAOYSA-N |
| MDL Number | MFCD16787158 |
| Molecular Formula | C9H12F2N2 |
| Molecular Weight | 186.2018 |
| SMILES | CCCNc1c(N)ccc(c1F)F |
| Synonyms | 5,6-Difluoro-1-N-propylbenzene-1,2-diamine,
1249165-13-6,
MFCD16787158,
ZINC53163349,
AKOS011824233,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.206g/mol |
| Monoisotopic Mass | 186.097g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number