| CAS Number | 1256259-14-9 |
| Catalog Number | AG00IMDD(AGN-PC-0WQUK7) |
| Chemical Name | 4-(Bromomethyl)-7-(diethylamino)coumarin |
| IUPAC Name | 4-(bromomethyl)-7-(diethylamino)chromen-2-one |
| InChI | InChI=1S/C14H16BrNO2/c1-3-16(4-2)11-5-6-12-10(9-15)7-14(17)18-13(12)8-11/h5-8H,3-4,9H2,1-2H3 |
| InChI Key | JPBOBQNHSXLIBI-UHFFFAOYSA-N |
| MDL Number | MFCD31618098 |
| Molecular Formula | C14H16BrNO2 |
| Molecular Weight | 310.1863 |
| SMILES | BrCC1=CC(OC2=CC(=CC=C12)N(CC)CC)=O |
| Synonyms | 4-(Bromomethyl)-7-(diethylamino)coumarin,
1256259-14-9,
B5008,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.191g/mol |
| Monoisotopic Mass | 309.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number