| CAS Number | 24933-35-5 |
| Catalog Number | AG01AH45(AGN-PC-038D5M) |
| Chemical Name | 4-difluoromethanesulfonyl-N1-ethylbenzene-1,2-diamine |
| IUPAC Name | 4-(difluoromethylsulfonyl)-1-N-ethylbenzene-1,2-diamine |
| InChI | InChI=1S/C9H12F2N2O2S/c1-2-13-8-4-3-6(5-7(8)12)16(14,15)9(10)11/h3-5,9,13H,2,12H2,1H3 |
| InChI Key | IQODVBKYKUMBNJ-UHFFFAOYSA-N |
| MDL Number | MFCD00766766 |
| Molecular Formula | C9H12F2N2O2S |
| Molecular Weight | 250.2656 |
| SMILES | CCNC1=C(N)C=C(S(C(F)F)(=O)=O)C=C1 |
| Synonyms | 4-difluoromethanesulfonyl-1-N-ethylbenzene-1,2-diamine,
24933-35-5,
4-difluoromethanesulfonyl-N1-ethylbenzene-1,2-diamine,
ZINC62151951,
AKOS003630694,
MCULE-8457612613,
NE18017,
EN300-73640,
Z1262398518,
4-(difluoromethane)sulfonyl-1-N-ethylbenzene-1,2-diamine,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.264g/mol |
| Monoisotopic Mass | 250.059g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number