| CAS Number | 1188037-01-5 |
| Catalog Number | AG003MI1(AGN-PC-0WAB5T) |
| Chemical Name | 5-broMo-3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde |
| IUPAC Name | 5-bromo-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbaldehyde |
| InChI | InChI=1S/C17H13BrN2O2/c1-22-14-9-7-12(8-10-14)16-15(11-21)17(18)20(19-16)13-5-3-2-4-6-13/h2-11H,1H3 |
| InChI Key | OEMWMRNELHHBMB-UHFFFAOYSA-N |
| MDL Number | MFCD09746343 |
| Molecular Formula | C17H13BrN2O2 |
| Molecular Weight | 357.2013 |
| SMILES | COC1=CC=C(C=C1)C1=NN(C(Br)=C1C=O)C1=CC=CC=C1 |
| Synonyms | 5-Bromo-3-(4-Methoxyphenyl)-1-Phenyl-1H-Pyrazole-4-Carbaldehyde,
1188037-01-5,
5-BROMO-3-(4-METHOXYPHENYL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXALDEHYDE,
C17H13BrN2O2,
PubChem23648,
SCHEMBL11730930,
CTK4B0910,
DTXSID10693624,
3143AA,
ANW-66142,
ZINC67171995,
AKOS015851954,
RTX-012627,
AK-84373,
BC004953,
AJ-116797,
AX8221884,
ST2406118,
4CH-000419,
5-Bromo-3-(4-methoxy-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde,
ACN-030017,
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| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 356.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.207g/mol |
| Monoisotopic Mass | 356.016g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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