| CAS Number | 886761-60-0 |
| Catalog Number | AG00GY5P(AGN-PC-0WAOGK) |
| Chemical Name | 2-Chloro-6-fluoro-3-methoxybenzylamine |
| IUPAC Name | (2-chloro-6-fluoro-3-methoxyphenyl)methanamine |
| InChI | InChI=1S/C8H9ClFNO/c1-12-7-3-2-6(10)5(4-11)8(7)9/h2-3H,4,11H2,1H3 |
| InChI Key | AVAJULXALLCUQO-UHFFFAOYSA-N |
| MDL Number | MFCD06660327 |
| Molecular Formula | C8H9ClFNO |
| Molecular Weight | 189.6146 |
| SMILES | C1(CN)=C(F)C=CC(OC)=C1Cl |
| Synonyms | 2-Chloro-6-fluoro-3-methoxybenzylamine,
886761-60-0,
(2-chloro-6-fluoro-3-methoxyphenyl)methanamine,
MFCD06660327,
SCHEMBL19443782,
CTK7A1333,
JRD-1968,
SBB091012,
ZINC12359286,
AKOS015956622,
FCH1121570,
JS-4503,
PC302796,
(2-chloro-6-fluoro-3-methoxyphenyl)methylamine,
1-(2-CHLORO-6-FLUORO-3-METHOXYPHENYL)METHANAMINE,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.614g/mol |
| Monoisotopic Mass | 189.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number