| CAS Number | 1096880-71-5 |
| Catalog Number | AG01BS3K |
| Chemical Name | 2-(Dimethylamino)-5-fluorobenzaldehyde |
| IUPAC Name | 2-(dimethylamino)-5-fluorobenzaldehyde |
| InChI | InChI=1S/C9H10FNO/c1-11(2)9-4-3-8(10)5-7(9)6-12/h3-6H,1-2H3 |
| InChI Key | NTYBTUKEJLGZCI-UHFFFAOYSA-N |
| MDL Number | MFCD11639766 |
| Molecular Formula | C9H10FNO |
| Molecular Weight | 167.1802 |
| SMILES | CN(C1=C(C=O)C=C(F)C=C1)C |
| Synonyms | 2-(dimethylamino)-5-fluorobenzaldehyde,
1096880-71-5,
ZINC37233771,
AKOS009461782,
|
| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.183g/mol |
| Monoisotopic Mass | 167.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number