| CAS Number | 848134-24-7 |
| Catalog Number | AG019MPY(AGN-PC-0168VB) |
| Chemical Name | 3-Chloro-4-(pyridin-3-ylmethoxy)aniline |
| IUPAC Name | 3-chloro-4-(pyridin-3-ylmethoxy)aniline |
| InChI | InChI=1S/C12H11ClN2O/c13-11-6-10(14)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7H,8,14H2 |
| InChI Key | HLUUSUYPMJJHLW-UHFFFAOYSA-N |
| MDL Number | MFCD08699390 |
| Molecular Formula | C12H11ClN2O |
| Molecular Weight | 234.6815 |
| SMILES | ClC=1C=C(N)C=CC1OCC=1C=NC=CC1 |
| Synonyms | 3-chloro-4-(pyridin-3-ylmethoxy)aniline,
848134-24-7,
AC1Q51MQ,
SCHEMBL4422123,
CTK7D6652,
HLUUSUYPMJJHLW-UHFFFAOYSA-N,
ZINC19256468,
AKOS000150856,
MCULE-4464259924,
NE49849,
RT-008658,
3-chloro-4-(pyridin-3-ylmethoxy)phenylamine,
EN300-36914,
Benzenamine, 3-chloro-4-(3-pyridinylmethoxy)-,
AB01002795-01,
3-Chloro-4-(3-pyridinylmethoxy)aniline,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.683g/mol |
| Monoisotopic Mass | 234.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number