| CAS Number | 851457-05-1 |
| Catalog Number | AG019NXR |
| Chemical Name | 3-chloro-4-fluoro-N-[(3-methylthiophen-2-yl)methyl]aniline |
| IUPAC Name | 3-chloro-4-fluoro-N-[(3-methylthiophen-2-yl)methyl]aniline |
| InChI | InChI=1S/C12H11ClFNS/c1-8-4-5-16-12(8)7-15-9-2-3-11(14)10(13)6-9/h2-6,15H,7H2,1H3 |
| InChI Key | NNZXKZMBCLQZLN-UHFFFAOYSA-N |
| MDL Number | MFCD04480369 |
| Molecular Formula | C12H11ClFNS |
| Molecular Weight | 255.7388 |
| SMILES | CC1=C(CNC2=CC(Cl)=C(F)C=C2)SC=C1 |
| Synonyms | 3-chloro-4-fluoro-N-[(3-methylthiophen-2-yl)methyl]aniline,
851457-05-1,
N-(3-chloro-4-fluorophenyl)-N-[(3-methylthien-2-yl)methyl]amine,
AC1LITKM,
AC1Q2FBQ,
CTK7C1209,
ZINC571375,
AKOS001101750,
MCULE-8475296984,
NE26600,
EN300-12099,
Z57327823,
CID961610,
ZINC00571375,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.735g/mol |
| Monoisotopic Mass | 255.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number