| CAS Number | 3169-75-3 |
| Catalog Number | AG01B6TV(AGN-PC-0WBVB5) |
| Chemical Name | 3-Chloro-2-phenoxyaniline |
| IUPAC Name | 3-chloro-2-phenoxyaniline |
| InChI | InChI=1S/C12H10ClNO/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8H,14H2 |
| InChI Key | LVFXXXPXOSABGF-UHFFFAOYSA-N |
| MDL Number | MFCD08687423 |
| Molecular Formula | C12H10ClNO |
| Molecular Weight | 219.6669 |
| SMILES | NC1=C(OC2=CC=CC=C2)C(Cl)=CC=C1 |
| Synonyms | 3-CHLORO-2-PHENOXYANILINE,
3169-75-3,
SCHEMBL3794304,
CTK7D9340,
ZINC14629234,
AKOS000215499,
TR-046062,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.668g/mol |
| Monoisotopic Mass | 219.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number