| CAS Number | 70384-83-7 |
| Catalog Number | AG00FHPE(AGN-PC-0WANBG) |
| Chemical Name | Ethyl 5-chloro-2-oxo-2H-chromene-3-carboxylate |
| IUPAC Name | ethyl 5-chloro-2-oxochromene-3-carboxylate |
| InChI | InChI=1S/C12H9ClO4/c1-2-16-11(14)8-6-7-9(13)4-3-5-10(7)17-12(8)15/h3-6H,2H2,1H3 |
| InChI Key | OOBBQYYHHVMNHD-UHFFFAOYSA-N |
| MDL Number | MFCD27952738 |
| Molecular Formula | C12H9ClO4 |
| Molecular Weight | 252.6505 |
| SMILES | CCOC(=O)C1=CC2=C(OC1=O)C=CC=C2Cl |
| Synonyms | Ethyl 5-chloro-2-oxo-2H-chromene-3-carboxylate,
70384-83-7,
70384-80-4,
AK148129,
5-chloro-3-carboethoxycoumarin,
SCHEMBL11486865,
OOBBQYYHHVMNHD-UHFFFAOYSA-N,
KS-00000S5V,
ethyl 5-chlorocoumarin-3-carboxylate,
MFCD27952738,
ZINC60027159,
AKOS022188067,
DS-8876,
AJ-113812,
AX8285493,
J3.548.996G,
2-Oxo-5-chloro-2H-1-benzopyran-3-carboxylic acid ethyl ester,
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| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.65g/mol |
| Monoisotopic Mass | 252.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number