| CAS Number | 136918-66-6 |
| Catalog Number | AG01A3YP(AGN-PC-0KLTF9) |
| Chemical Name | 4-Chloro-7-(diethylamino)-2-oxo-2H-chromene-3-carbaldehyde |
| IUPAC Name | 4-chloro-7-(diethylamino)-2-oxochromene-3-carbaldehyde |
| InChI | InChI=1S/C14H14ClNO3/c1-3-16(4-2)9-5-6-10-12(7-9)19-14(18)11(8-17)13(10)15/h5-8H,3-4H2,1-2H3 |
| InChI Key | CYXXVTLWYIGJJW-UHFFFAOYSA-N |
| MDL Number | MFCD00232978 |
| Molecular Formula | C14H14ClNO3 |
| Molecular Weight | 279.7189 |
| SMILES | ClC1=C(C(OC2=CC(=CC=C12)N(CC)CC)=O)C=O |
| Synonyms | 4-chloro-7-(diethylamino)-2-oxo-2H-chromene-3-carbaldehyde,
136918-66-6,
4-chloro-7-(diethylamino)-2-oxochromene-3-carbaldehyde,
AC1MCYQV,
Oprea1_019991,
SCHEMBL2195842,
ZINC3133919,
STK368503,
AKOS005444176,
MCULE-1535171404,
NE29734,
ST50907789,
SR-01000195855,
SR-01000195855-1,
7-(diethylamino)-4-chloro-2-oxochromene-3-carbaldehyde,
2-Oxo-4-chloro-7-(diethylamino)-2H-1-benzopyran-3-carbaldehyde,
ZINC03133919,
CID2828082,
4-chloro-7-(diethylamino)-3-formyl-2H-chromen-2-one,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.72g/mol |
| Monoisotopic Mass | 279.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number