| CAS Number | 518023-77-3 |
| Catalog Number | AG00DARH(AGN-PC-0WB4S5) |
| Chemical Name | 1-(Naphthalen-2-yl)-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 1-naphthalen-2-ylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C14H10N2O/c17-10-11-8-15-16(9-11)14-6-5-12-3-1-2-4-13(12)7-14/h1-10H |
| InChI Key | ZQTOQSZEFKUAKA-UHFFFAOYSA-N |
| MDL Number | MFCD03780731 |
| Molecular Formula | C14H10N2O |
| Molecular Weight | 222.2420 |
| SMILES | N1(C2=CC=C3C(C=CC=C3)=C2)C=C(C=N1)C=O |
| Synonyms | 518023-77-3,
1-(2-NAPHTHYL)-1H-PYRAZOLE-4-CARBALDEHYDE,
CHEMBRDG-BB 7231378,
1-naphthalen-2-ylpyrazole-4-carbaldehyde,
1-(Naphthalen-2-yl)-1H-pyrazole-4-carbaldehyde,
AC1N47Y5,
SCHEMBL18585530,
CTK4J4876,
DTXSID50399956,
ZINC6865072,
ZX-CM017271,
MFCD03780731,
AKOS022185096,
ACM518023773,
AJ-56959,
Y-0833,
ZINC06865072,
CID4150576,
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| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.247g/mol |
| Monoisotopic Mass | 222.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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