| CAS Number | 5211-03-0 |
| Catalog Number | AG019VYK(AGN-PC-0WBVM7) |
| Chemical Name | 3-chloro-4-propoxyaniline |
| IUPAC Name | 3-chloro-4-propoxyaniline |
| InChI | InChI=1S/C9H12ClNO/c1-2-5-12-9-4-3-7(11)6-8(9)10/h3-4,6H,2,5,11H2,1H3 |
| InChI Key | ONECGTDGZWJLPQ-UHFFFAOYSA-N |
| MDL Number | MFCD08687469 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| SMILES | CCCOC1=C(Cl)C=C(N)C=C1 |
| Synonyms | 3-chloro-4-propoxyaniline,
5211-03-0,
(3-chloro-4-propoxyphenyl)amine,
3-chloro-4-propoxy-phenylamine,
AC1Q2YBH,
SCHEMBL3788764,
CTK6E6071,
ZINC8730319,
BBL002647,
MFCD08687469,
STK519627,
AKOS000101741,
MCULE-9013128704,
TR-046506,
EN300-49878,
Y-4072,
N/A,
|
| Complexity | 132 |
| 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 | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number