| CAS Number | 130566-34-6 |
| Catalog Number | AG009DV9(AGN-PC-0WONK4) |
| Chemical Name | 3-Chloro-2-(propan-2-yloxy)aniline |
| IUPAC Name | 3-chloro-2-propan-2-yloxyaniline |
| InChI | InChI=1S/C9H12ClNO/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6H,11H2,1-2H3 |
| InChI Key | HNQIVPPPVHBJIE-UHFFFAOYSA-N |
| MDL Number | MFCD11053905 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| SMILES | CC(OC1=C(Cl)C=CC=C1N)C |
| Synonyms | 3-chloro-2-(propan-2-yloxy)aniline,
130566-34-6,
3-Chloro-2-isopropoxyaniline,
SCHEMBL10437707,
ZINC8730283,
STL411932,
AKOS000101566,
MCULE-6008750006,
AJ-59108,
EN300-80804,
Y-6504,
(3-chloro-2-isopropoxyphenyl)amine,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.651g/mol |
| Monoisotopic Mass | 185.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number