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Home > Aldehydes > 956785-40-3
956785-40-3 | 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carbaldehyde
CAS No: 956785-40-3 Catalog No: AG019O2B MDL No:MFCD03422395
Product Description
Catalog Number:
AG019O2B
Chemical Name:
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-1H-pyrazole-4-carbaldehyde
CAS Number:
956785-40-3
Molecular Formula:
C19H18N2O
Molecular Weight:
290.3590
MDL Number:
MFCD03422395
IUPAC Name:
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbaldehyde
InChI:
InChI=1S/C19H18N2O/c1-14-3-7-16(8-4-14)11-21-12-18(13-22)19(20-21)17-9-5-15(2)6-10-17/h3-10,12-13H,11H2,1-2H3
InChI Key:
GIUSNILTDYPHLP-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccc(cc1)C)Cc1ccc(cc1)C
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.366g/mol
Monoisotopic Mass:
290.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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