| CAS Number | 90234-41-6 |
| Catalog Number | AG006ILS(AGN-PC-00M1LS) |
| Chemical Name | 3-chloro-4-methoxy-N-methylaniline |
| IUPAC Name | 3-chloro-4-methoxy-N-methylaniline |
| InChI | InChI=1S/C8H10ClNO/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5,10H,1-2H3 |
| InChI Key | HUTOKXIVRFJQAW-UHFFFAOYSA-N |
| MDL Number | MFCD11151134 |
| Molecular Formula | C8H10ClNO |
| Molecular Weight | 171.6241 |
| SMILES | CNC1=CC(Cl)=C(OC)C=C1 |
| Synonyms | 3-chloro-4-methoxy-N-methylaniline,
90234-41-6,
Benzenamine, 3-chloro-4-methoxy-N-methyl-,
3-chloro-4-methoxy-N-methylbenzenamine,
SCHEMBL2092356,
CTK3I3105,
DTXSID90536707,
ZINC20041159,
AKOS000252332,
MCULE-9446155681,
NE30790,
AJ-75928,
DA-01540,
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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 | 171.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.624g/mol |
| Monoisotopic Mass | 171.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number