| CAS Number | 946749-04-8 |
| Catalog Number | AG01C2JK |
| Chemical Name | 3-bromo-4-(piperidin-1-yl)benzaldehyde |
| IUPAC Name | 3-bromo-4-piperidin-1-ylbenzaldehyde |
| InChI | InChI=1S/C12H14BrNO/c13-11-8-10(9-15)4-5-12(11)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2 |
| InChI Key | PYYGJBYCDYEZJS-UHFFFAOYSA-N |
| MDL Number | MFCD11557917 |
| Molecular Formula | C12H14BrNO |
| Molecular Weight | 268.1497 |
| SMILES | BrC1=C(N2CCCCC2)C=CC(C=O)=C1 |
| Synonyms | 3-bromo-4-(piperidin-1-yl)benzaldehyde,
946749-04-8,
SCHEMBL236991,
ZINC8702889,
AKOS000101427,
Benzaldehyde, 3-bromo-4-(1-piperidinyl)-,
Z274535296,
Benzaldehyde, 3-bromo-4-(1-piperidinyl),
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.154g/mol |
| Monoisotopic Mass | 267.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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