| CAS Number | 1049757-56-3 |
| Catalog Number | AG00J40X(AGN-PC-0WB7WH) |
| Chemical Name | (2-[(3-Fluorobenzyl)thio]phenyl)amine hydrochloride |
| IUPAC Name | 2-[(3-fluorophenyl)methylsulfanyl]aniline;hydrochloride |
| InChI | InChI=1S/C13H12FNS.ClH/c14-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15;/h1-8H,9,15H2;1H |
| InChI Key | AOTABQIFWKNYDZ-UHFFFAOYSA-N |
| MDL Number | MFCD08575575 |
| Molecular Formula | C13H13ClFNS |
| Molecular Weight | 269.7654 |
| SMILES | S(CC1C=CC=C(F)C=1)C1=CC=CC=C1N.Cl |
| Synonyms | 1049757-56-3,
{2-[(3-fluorobenzyl)thio]phenyl}amine hydrochloride,
2-((3-Fluorobenzyl)thio)aniline hydrochloride,
ZX-CM018049,
MFCD08575575,
AKOS000104668,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.762g/mol |
| Monoisotopic Mass | 269.044g/mol |
| Rotatable Bond Count | 3 |
| 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