| CAS Number | 59781-07-6 |
| Catalog Number | AG00IALV(AGN-PC-0WB0PW) |
| Chemical Name | 5-(BENZYLOXY)-6-CHLORO-2-PYRIDINECARBALDEHYDE |
| IUPAC Name | 6-chloro-5-phenylmethoxypyridine-2-carbaldehyde |
| InChI | InChI=1S/C13H10ClNO2/c14-13-12(7-6-11(8-16)15-13)17-9-10-4-2-1-3-5-10/h1-8H,9H2 |
| InChI Key | WAQMRBDRIYQWII-UHFFFAOYSA-N |
| MDL Number | MFCD13193075 |
| Molecular Formula | C13H10ClNO2 |
| Molecular Weight | 247.6770 |
| SMILES | C(C1=CC=CC=C1)OC=1C=CC(=NC1Cl)C=O |
| Synonyms | 5-(benzyloxy)-6-chloro-2-pyridinecarbaldehyde,
59781-07-6,
5-(Benzyloxy)-6-chloropicolinaldehyde,
5-(benzyloxy)-6-chloropyridine-2-carbaldehyde,
CTK7H9337,
benzyloxychloropyridinecarbaldehyde,
KS-00001Q8X,
ZX-RL003106,
MFCD13193075,
SBB100320,
ZINC40564664,
AKOS005073354,
FCH2811408,
LD-0010,
RP14115,
OR303870,
AJ-103500,
TR-065653,
5-Benzyloxy-6-chloro-pyridine-2-carbaldehyde,
6-chloro-5-(phenylmethoxy)pyridine-2-carbaldehyde,
A1-03956,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.678g/mol |
| Monoisotopic Mass | 247.04g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number