| CAS Number | 882231-91-6 |
| Catalog Number | AG00IF0K(AGN-PC-0WBKTM) |
| Chemical Name | 3-(3-Chloro-4-ethoxy-phenyl)-1-phenyl-1h-pyrazole-4-carbaldehyde |
| IUPAC Name | 3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C18H15ClN2O2/c1-2-23-17-9-8-13(10-16(17)19)18-14(12-22)11-21(20-18)15-6-4-3-5-7-15/h3-12H,2H2,1H3 |
| InChI Key | BCRFGADBBIQOOI-UHFFFAOYSA-N |
| MDL Number | MFCD03972109 |
| Molecular Formula | C18H15ClN2O2 |
| Molecular Weight | 326.7769 |
| SMILES | CCOC1=C(Cl)C=C(C2C(C=O)=CN(C3=CC=CC=C3)N=2)C=C1 |
| Synonyms | 882231-91-6,
3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde,
3-(3-Chloro-4-ethoxy-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde,
3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazole-4-carbaldehyde,
AC1M74I3,
AC1Q35M6,
CTK6G2426,
ZINC3295382,
MFCD03972109,
SBB076090,
STL485585,
AKOS005135684,
MCULE-9948462962,
NE54447,
NS-05456,
EN300-04885,
ZINC03295382,
CID2410978,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.78g/mol |
| Monoisotopic Mass | 326.082g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number