| CAS Number | 355368-67-1 |
| Catalog Number | AG00J3TR(AGN-PC-0WB4OL) |
| Chemical Name | Methyl 2-chloro-5-(5-formylfuran-2-yl)benzoate |
| IUPAC Name | methyl 2-chloro-5-(5-formylfuran-2-yl)benzoate |
| InChI | InChI=1S/C13H9ClO4/c1-17-13(16)10-6-8(2-4-11(10)14)12-5-3-9(7-15)18-12/h2-7H,1H3 |
| InChI Key | GRYYEBWIDSXITM-UHFFFAOYSA-N |
| MDL Number | MFCD01158421 |
| Molecular Formula | C13H9ClO4 |
| Molecular Weight | 264.6612 |
| SMILES | C1(=CC=C(Cl)C(C(=O)OC)=C1)C1=CC=C(C=O)O1 |
| Synonyms | 355368-67-1,
methyl 2-chloro-5-(5-formyl-2-furyl)benzoate,
methyl 2-chloro-5-(5-formylfuran-2-yl)benzoate,
2-Chloro-5-(5-formyl-furan-2-yl)benzoic acid methyl ester,
2-chloro-5-(5-formyl-furan-2-yl)benzoic acidmethyl ester,
2-Chloro-5-(5-formyl-furan-2-yl)-benzoic acid methyl ester,
AC1LGA7S,
ZINC292388,
ZX-CM016999,
BBL023310,
MFCD01158421,
STL289238,
AKOS000103455,
FS-5944,
MCULE-2822886638,
BAS 01047848,
ST45019354,
W-8068,
methyl 2-chloro-5-(5-formyl(2-furyl))benzoate,
CID791450,
ZINC00292388,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.661g/mol |
| Monoisotopic Mass | 264.019g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number