| CAS Number | 438218-23-6 |
| Catalog Number | AG00JEFD(AGN-PC-0RS06G) |
| Chemical Name | Methyl 5-((4-chloro-2-methylphenoxy)methyl)furan-2-carboxylate |
| IUPAC Name | methyl 5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxylate |
| InChI | InChI=1S/C14H13ClO4/c1-9-7-10(15)3-5-12(9)18-8-11-4-6-13(19-11)14(16)17-2/h3-7H,8H2,1-2H3 |
| InChI Key | XVBFXCXYOMFPPT-UHFFFAOYSA-N |
| MDL Number | MFCD03074477 |
| Molecular Formula | C14H13ClO4 |
| Molecular Weight | 280.7036 |
| SMILES | COC(C1OC(COC2=C(C)C=C(Cl)C=C2)=CC=1)=O |
| Synonyms | methyl 5-[(4-chloro-2-methylphenoxy)methyl]-2-furoate,
438218-23-6,
methyl 5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxylate,
Methyl 5-((4-chloro-2-methylphenoxy)methyl)furan-2-carboxylate,
5-(4-Chloro-2-methyl-phenoxymethyl)-furan-2-carboxylic acid methyl ester,
AC1N5PYH,
Oprea1_534825,
CTK6J0275,
ZINC2505994,
MFCD03074477,
SBB021278,
STK301560,
AKOS000305822,
MCULE-8589492855,
AK-968/41170306,
XVBFXCXYOMFPPT-UHFFFAOYSA-N,
ZINC02505994,
CID4149081,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.704g/mol |
| Monoisotopic Mass | 280.05g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number