| CAS Number | 1305711-90-3 |
| Catalog Number | AG00HS49(AGN-PC-0WH9EA) |
| Chemical Name | N-(3-Chloro-2-fluorobenzyl)-N-methylamine |
| IUPAC Name | 1-(3-chloro-2-fluorophenyl)-N-methylmethanamine |
| InChI | InChI=1S/C8H9ClFN/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3 |
| InChI Key | RXXOGUOFLXCDJZ-UHFFFAOYSA-N |
| MDL Number | MFCD12828210 |
| Molecular Formula | C8H9ClFN |
| Molecular Weight | 173.6152 |
| SMILES | CNCC1=CC=CC(Cl)=C1F |
| Synonyms | N-(3-Chloro-2-fluorobenzyl)-N-methylamine,
1305711-90-3,
1-(3-chloro-2-fluorophenyl)-N-methylmethanamine,
SCHEMBL13886573,
CTK6I5434,
ZINC38534318,
AKOS017515845,
CS-0061789,
[(3-chloro-2-fluorophenyl)methyl](methyl)amine,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.615g/mol |
| Monoisotopic Mass | 173.041g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number