| CAS Number | 742099-33-8 |
| Catalog Number | AG00FFZ2(AGN-PC-03YOD5) |
| Chemical Name | 5-Bromo-2-(piperidin-1-yl)benzaldehyde |
| IUPAC Name | 5-bromo-2-piperidin-1-ylbenzaldehyde |
| InChI | InChI=1S/C12H14BrNO/c13-11-4-5-12(10(8-11)9-15)14-6-2-1-3-7-14/h4-5,8-9H,1-3,6-7H2 |
| InChI Key | YFNSDOXNCJMVHQ-UHFFFAOYSA-N |
| MDL Number | MFCD08276957 |
| Molecular Formula | C12H14BrNO |
| Molecular Weight | 268.1497 |
| SMILES | [Br]C2(=CC(=C(N1(CCCCC1))C=C2)C=O) |
| Synonyms | 5-Bromo-2-piperidinobenzenecarbaldehyde,
742099-33-8,
5-bromo-2-(piperidin-1-yl)benzaldehyde,
5-Bromo-2-piperidin-1-ylbenzaldehyde,
SCHEMBL6103152,
5-bromo-2-piperidinobenzaldehyde,
CTK7H8578,
DTXSID90630512,
YFNSDOXNCJMVHQ-UHFFFAOYSA-N,
KS-00001TA8,
ZINC8730203,
9069AE,
MFCD08276957,
AKOS005069736,
RP15035,
RTR-062849,
AJ-59088,
TR-062849,
12Z-0707,
J-516850,
C12H14BrNO,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number