| CAS Number | 946718-95-2 |
| Catalog Number | AG01AFS2 |
| Chemical Name | 5-chloro-2-[(1-methoxypropan-2-yl)oxy]aniline |
| IUPAC Name | 5-chloro-2-(1-methoxypropan-2-yloxy)aniline |
| InChI | InChI=1S/C10H14ClNO2/c1-7(6-13-2)14-10-4-3-8(11)5-9(10)12/h3-5,7H,6,12H2,1-2H3 |
| InChI Key | CMQJNXATQBOQPG-UHFFFAOYSA-N |
| MDL Number | MFCD13807532 |
| Molecular Formula | C10H14ClNO2 |
| Molecular Weight | 215.6767 |
| SMILES | COCC(OC1=C(N)C=C(Cl)C=C1)C |
| Synonyms | 5-chloro-2-[(1-methoxypropan-2-yl)oxy]aniline,
946718-95-2,
AKOS000100880,
MCULE-8268776007,
NE32260,
Z274542094,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.677g/mol |
| Monoisotopic Mass | 215.071g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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