| CAS Number | 1146290-11-0 |
| Catalog Number | AG019UVM(AGN-PC-0WO702) |
| Chemical Name | 2-{[(2,2-dichlorocyclopropyl)methyl]sulfanyl}aniline |
| IUPAC Name | 2-[(2,2-dichlorocyclopropyl)methylsulfanyl]aniline |
| InChI | InChI=1S/C10H11Cl2NS/c11-10(12)5-7(10)6-14-9-4-2-1-3-8(9)13/h1-4,7H,5-6,13H2 |
| InChI Key | ABBVLAQJFLFDOB-UHFFFAOYSA-N |
| MDL Number | MFCD11857996 |
| Molecular Formula | C10H11Cl2NS |
| Molecular Weight | 248.1720 |
| SMILES | NC1=C(SCC2C(Cl)(Cl)C2)C=CC=C1 |
| Synonyms | 2-{[(2,2-dichlorocyclopropyl)methyl]sulfanyl}aniline,
1146290-11-0,
AC1Q51AN,
CTK7D9742,
AKOS026728375,
MCULE-3478999250,
NE15320,
EN300-42969,
F3015-0007,
Z1259087071,
2-([(2,2-dichlorocyclopropyl)methyl]sulfanyl)aniline,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.165g/mol |
| Monoisotopic Mass | 246.999g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number