| CAS Number | 865660-08-8 |
| Catalog Number | AG00IPTJ(AGN-PC-0WATFR) |
| Chemical Name | Methyl 4-[(6-chloropyridin-3-yl)methoxy]benzoate |
| IUPAC Name | methyl 4-[(6-chloropyridin-3-yl)methoxy]benzoate |
| InChI | InChI=1S/C14H12ClNO3/c1-18-14(17)11-3-5-12(6-4-11)19-9-10-2-7-13(15)16-8-10/h2-8H,9H2,1H3 |
| InChI Key | ZJTNXOUDKDJMKI-UHFFFAOYSA-N |
| MDL Number | MFCD04125299 |
| Molecular Formula | C14H12ClNO3 |
| Molecular Weight | 277.703 |
| SMILES | ClC2(=NC=C(COC1(=CC=C(C(=O)OC)C=C1))C=C2) |
| Synonyms | methyl 4-[(6-chloropyridin-3-yl)methoxy]benzoate,
865660-08-8,
methyl 4-[(6-chloro-3-pyridinyl)methoxy]benzenecarboxylate,
AC1LT1GL,
Bionet2_001673,
HMS1368O09,
KS-00001W5O,
ZINC1386752,
AKOS005091151,
MCULE-3552416071,
3X-0810,
SR-01000309162,
A1-11191,
SR-01000309162-1,
ZINC01386752,
CID1474832,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.704g/mol |
| Monoisotopic Mass | 277.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number