| CAS Number | 1240527-68-7 |
| Catalog Number | AG01A96T |
| Chemical Name | 3-chloro-2-[(difluoromethyl)sulfanyl]aniline hydrochloride |
| IUPAC Name | 3-chloro-2-(difluoromethylsulfanyl)aniline;hydrochloride |
| InChI | InChI=1S/C7H6ClF2NS.ClH/c8-4-2-1-3-5(11)6(4)12-7(9)10;/h1-3,7H,11H2;1H |
| InChI Key | KCUUYQZKCXAJRA-UHFFFAOYSA-N |
| MDL Number | MFCD16547662 |
| Molecular Formula | C7H7Cl2F2NS |
| Molecular Weight | 246.1050 |
| SMILES | Cl.NC1=C(SC(F)F)C(Cl)=CC=C1 |
| Synonyms | 3-chloro-2-[(difluoromethyl)sulfanyl]aniline hydrochloride,
1240527-68-7,
AC1Q3CX9,
AKOS008129377,
MCULE-8866226723,
NE45558,
EN300-64336,
3-Chloro-2-((difluoromethyl)thio)aniline hydrochloride,
Z1262254245,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.097g/mol |
| Monoisotopic Mass | 244.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number