| CAS Number | 852399-84-9 |
| Catalog Number | AG019O54 |
| Chemical Name | 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylpropanamide |
| IUPAC Name | 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylpropanamide |
| InChI | InChI=1S/C11H13ClFNO/c1-8(12)11(15)14(2)7-9-4-3-5-10(13)6-9/h3-6,8H,7H2,1-2H3 |
| InChI Key | YRFDJMYHHAHVHP-UHFFFAOYSA-N |
| MDL Number | MFCD06655509 |
| Molecular Formula | C11H13ClFNO |
| Molecular Weight | 229.6784 |
| SMILES | CC(C(N(CC1=CC(F)=CC=C1)C)=O)Cl |
| Synonyms | 2-chloro-N-[(3-fluorophenyl)methyl]-N-methylpropanamide,
852399-84-9,
2-chloro-N-(3-fluorobenzyl)-N-methylpropanamide,
AC1NLQ2P,
AC1Q2AT7,
CTK7C1853,
AKOS008987433,
MCULE-7424931499,
NE24522,
EN300-12802,
ZINC04205810,
CID4962073,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.679g/mol |
| Monoisotopic Mass | 229.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number