| CAS Number | 868770-03-0 |
| Catalog Number | AG00H3OG(AGN-PC-05DXN9) |
| Chemical Name | 3-Fluoro-4-(4-methylpiperazin-1-yl)benzaldehyde |
| IUPAC Name | 3-fluoro-4-(4-methylpiperazin-1-yl)benzaldehyde |
| InChI | InChI=1S/C12H15FN2O/c1-14-4-6-15(7-5-14)12-3-2-10(9-16)8-11(12)13/h2-3,8-9H,4-7H2,1H3 |
| InChI Key | TZYOCMHJYISNCN-UHFFFAOYSA-N |
| MDL Number | MFCD11156351 |
| Molecular Formula | C12H15FN2O |
| Molecular Weight | 222.2587 |
| SMILES | FC=1C=C(C=O)C=CC1N1CCN(CC1)C |
| Synonyms | 3-fluoro-4-(4-methylpiperazin-1-yl)benzaldehyde,
868770-03-0,
3-fluoro-4-(4-methyl-1-piperazinyl)Benzaldehyde,
AC1Q3ZU3,
SCHEMBL19137930,
CTK7H9264,
ZINC20078925,
AKOS000260631,
MCULE-1186030679,
NE57350,
DB-076773,
FT-0747491,
EN300-51200,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.263g/mol |
| Monoisotopic Mass | 222.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 23.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number