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Home > Aldehydes > 956360-54-6
956360-54-6 | 1-benzyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CAS No: 956360-54-6 Catalog No: AG019NXT MDL No:MFCD06382832
Product Description
Catalog Number:
AG019NXT
Chemical Name:
1-benzyl-3-(3-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
956360-54-6
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
MDL Number:
MFCD06382832
IUPAC Name:
1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C18H16N2O2/c1-22-17-9-5-8-15(10-17)18-16(13-21)12-20(19-18)11-14-6-3-2-4-7-14/h2-10,12-13H,11H2,1H3
InChI Key:
HCTKLPUJWRJHFE-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1cccc(c1)OC)Cc1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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