| CAS Number | 823188-81-4 |
| Catalog Number | AG00G7T1(AGN-PC-02MVNX) |
| Chemical Name | 1-(2-Chloro-4-fluorophenyl)-N-methylmethanamine |
| IUPAC Name | 1-(2-chloro-4-fluorophenyl)-N-methylmethanamine |
| InChI | InChI=1S/C8H9ClFN/c1-11-5-6-2-3-7(10)4-8(6)9/h2-4,11H,5H2,1H3 |
| InChI Key | SOYPZBKNEIEUIG-UHFFFAOYSA-N |
| MDL Number | MFCD20484879 |
| Molecular Formula | C8H9ClFN |
| Molecular Weight | 173.6152 |
| SMILES | ClC1=C(C=CC(=C1)F)CNC |
| Synonyms | 823188-81-4,
[(2-chloro-4-fluorophenyl)methyl](methyl)amine,
N-(2-Chloro-4-fluorobenzyl)-N-methylamine,
1-(2-Chloro-4-fluorophenyl)-N-methylmethanamine,
Benzenemethanamine, 2-chloro-4-fluoro-N-methyl-,
AC1Q413Y,
SCHEMBL8229008,
CTK6I5410,
SOYPZBKNEIEUIG-UHFFFAOYSA-N,
MFCD09814029,
ZINC19393538,
AKOS000159392,
N-Methyl 2-chloro-4-fluorobenzylamine,
MCULE-4026253644,
NE36364,
AS-40521,
EN300-71943,
Z138105392,
|
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number